公开(公告)号：US10916331B2

公开(公告)日：2021-02-09

申请号：US15577719

申请日：2016-06-03

Applicant: GEORGETOWN UNIVERSITY

Inventor： Sivanesan Dakshanamurthy ,  Stephen W. Byers

IPC: G16B15/00 ,  G16B15/30 ,  G06F5/01 ,  G06F17/11 ,  G06F111/10

Abstract: Described herein are methods of predicting drug-target interactions and methods of using the information for drug repurposing. The methods described herein combine different descriptors, including, for example, atom pair similarity, shape, topology and chemical signatures, physico-chemical functional descriptors, contact points of the ligand and the target protein, chemical similarity, and docking score.

公开(公告)号：US11179395B2

公开(公告)日：2021-11-23

申请号：US15923244

申请日：2018-03-16

Applicant: GEORGETOWN UNIVERSITY

Inventor： Sivanesan Dakshanamurthy ,  Stephen W. Byers ,  Dean Rosenthal

IPC: A61K31/519 ,  A61P35/00 ,  A61K31/4184 ,  C12Q1/6886

Abstract: Provided herein are methods for treating melanoma in a subject.

公开(公告)号：US20180263987A1

公开(公告)日：2018-09-20

申请号：US15923244

申请日：2018-03-16

Applicant: GEORGETOWN UNIVERSITY

Inventor： Sivanesan Dakshanamurthy ,  Stephen W. Byers ,  Dean Rosenthal

IPC: A61K31/519 ,  A61P35/00 ,  A61K31/4184 ,  C12Q1/6886

CPC classification number: A61K31/519 ,  A61K31/4184 ,  A61P35/00 ,  C12Q1/6886 ,  C12Q2600/106 ,  C12Q2600/156

Abstract: Provided herein are methods for treating melanoma in a subject.

公开(公告)号：US20150324546A1

公开(公告)日：2015-11-12

申请号：US14408316

申请日：2013-06-21

Applicant: GEORGETOWN UNIVERSITY

Inventor： Sivanesan Dakshanamurthy ,  Stephen W. Byers

IPC: G06F19/00

CPC classification number: G06F19/3456 ,  G16B15/00 ,  G16C20/50

Abstract: Described herein are methods of predicting drug-target interactions and method of using the information for drug repurposing. The methods described herein combine different descriptors including, for example, shape, topology and chemical signatures, physico-chemical functional descriptors, contact points of the ligand and the target protein, chemical similarity, and docking score.

Abstract translation: 本文描述了预测药物靶标相互作用的方法以及使用该信息进行药物再利用的方法。 本文描述的方法组合了不同的描述符，包括例如形状，拓扑和化学特征，物理化学功能描述符，配体和靶蛋白的接触点，化学相似性和停泊分数。

公开(公告)号：US20160151363A1

公开(公告)日：2016-06-02

申请号：US15017040

申请日：2016-02-05

Applicant: Georgetown University

Inventor： Stephen W. Byers ,  Sivanesan Dakshanamurthy ,  Jaime M. Guidry Auvil ,  Milton L. Brown

IPC: A61K31/498 ,  A61K45/06 ,  C07D241/42

CPC classification number: A61K31/498 ,  A61K31/343 ,  A61K31/44 ,  A61K31/473 ,  A61K45/06 ,  C07D213/30 ,  C07D215/14 ,  C07D241/42 ,  C07D307/77 ,  C07K16/18

Abstract: Cadherin-11 inhibitors and methods for the prevention and treatment of cadherin-11 related diseases are described herein. Cadherin-11 related diseases include cancer and rheumatoid arthritis.

公开(公告)号：US20150064168A1

公开(公告)日：2015-03-05

申请号：US14323374

申请日：2014-07-03

Applicant: Georgetown University

Inventor： Stephen W. Byers ,  Sivanesan Dakshanamurthy ,  Jaime M. Guidry Auvil ,  Milton L. Brown

IPC: C07K16/18 ,  A61K31/498 ,  C07D213/30 ,  A61K45/06 ,  C07D307/77 ,  A61K31/343 ,  C07D215/14 ,  A61K31/473 ,  C07D241/42 ,  A61K31/44

CPC classification number: A61K31/498 ,  A61K31/343 ,  A61K31/44 ,  A61K31/473 ,  A61K45/06 ,  C07D213/30 ,  C07D215/14 ,  C07D241/42 ,  C07D307/77 ,  C07K16/18

Abstract: Cadherin-11 inhibitors and methods for the prevention and treatment of cadherin-11 related diseases are described herein. Cadherin-11 related diseases include cancer and rheumatoid arthritis.

Abstract translation: 本发明描述了钙黏着蛋白-11抑制剂和预防和治疗钙粘蛋白-11相关疾病的方法。 钙粘蛋白-11相关疾病包括癌症和类风湿性关节炎。

公开(公告)号：US20180157786A1

公开(公告)日：2018-06-07

申请号：US15577719

申请日：2016-06-03

Applicant: GEORGETOWN UNIVERSITY

Inventor： Sivanesan Dakshanamurthy ,  Stephen W. Byers

IPC: G06F19/16 ,  G06F5/01 ,  G06F17/11

CPC classification number: G16B15/00 ,  G06F5/01 ,  G06F17/11 ,  G06F2217/16 ,  G16B15/30

Abstract: Described herein are methods of predicting drug-target interactions and methods of using the information for drug repurposing. The methods described herein combine different descriptors, including, for example, atom pair similarity, shape, topology and chemical signatures, physico-chemical functional descriptors, contact points of the ligand and the target protein, chemical similarity, and docking score.

公开(公告)号：US09889131B2

公开(公告)日：2018-02-13

申请号：US15017040

申请日：2016-02-05

Applicant: Georgetown University

Inventor： Stephen W. Byers ,  Sivanesan Dakshanamurthy ,  Jaime M. Guidry Auvil ,  Milton L. Brown

IPC: A61K31/498 ,  C07D241/42 ,  C07D213/30 ,  A61K31/343 ,  A61K31/44 ,  A61K31/473 ,  A61K45/06 ,  C07D215/14 ,  C07D307/77 ,  C07K16/18

CPC classification number: A61K31/498 ,  A61K31/343 ,  A61K31/44 ,  A61K31/473 ,  A61K45/06 ,  C07D213/30 ,  C07D215/14 ,  C07D241/42 ,  C07D307/77 ,  C07K16/18

Abstract: Cadherin-11 inhibitors and methods for the prevention and treatment of cadherin-11 related diseases are described herein. Cadherin-11 related diseases include cancer and rheumatoid arthritis.

公开(公告)号：US09284368B2

公开(公告)日：2016-03-15

申请号：US14323374

申请日：2014-07-03

Applicant: Georgetown University

Inventor： Stephen W. Byers ,  Sivanesan Dakshanamurthy ,  Jaime M. Guidry Auvil ,  Milton L. Brown

IPC: C07D241/12 ,  C07K16/18 ,  C07D213/30 ,  C07D241/42 ,  A61K31/343 ,  A61K31/44 ,  A61K31/473 ,  A61K31/498 ,  A61K45/06 ,  C07D215/14 ,  C07D307/77

CPC classification number: A61K31/498 ,  A61K31/343 ,  A61K31/44 ,  A61K31/473 ,  A61K45/06 ,  C07D213/30 ,  C07D215/14 ,  C07D241/42 ,  C07D307/77 ,  C07K16/18

Abstract: This invention provides for a method of preventing or treating a cadherin-11 related disease in a subject, which includes administering to the subject an effective amount of a compound of the following formula: or a pharmaceutically acceptable salt or prodrug thereof, where R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, X1 and X2 are as defined herein.

Abstract translation: 本发明提供了预防或治疗受试者中钙粘蛋白-11相关疾病的方法，其包括向受试者施用有效量的下式化合物或其药学上可接受的盐或前药，其中R1，R2 ，R 3，R 4，R 5，R 6，R 7，R 8，R 9，R 10，R 11，R 12，X 1和X 2如本文所定义。