SCHEMBL1968159

SCHEMBL1968159

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.59
FEN1 P39748 16/20 0.59
PARG Q86W56 1/20 0.50
EDNRB P24530 1/20 0.49
EDNRA P25101 1/20 0.49
CASP1 P29466 1/20 0.49
NSD2 O96028 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6628076 0.88 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL5885311 0.86 ALOX5AP (0.58) ALOX5APFEN1
SCHEMBL890585 0.86 ALOX5AP (0.65) ALOX5APFEN1
SCHEMBL7084914 0.86 ALOX5AP (0.54) ALOX5APFEN1PARG
SCHEMBL890690 0.86 ALOX5AP (0.54) ALOX5APFEN1CASP1
Hydrochloric Acid SCHEMBL6175800 0.85 ALOX5AP (0.64) ALOX5APFEN1NSD2
SCHEMBL3831543 0.84 ALOX5AP (0.60) ALOX5APFEN1
SCHEMBL7190899 0.84 ALOX5AP (0.55) ALOX5APFEN1
SCHEMBL489577 0.84 ALOX5AP (0.55) ALOX5APFEN1
SCHEMBL2452804 0.84 CASP1 (0.48) ALOX5APFEN1EDNRBEDNRACASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334651-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2011-06-22 EP disclosed
WO-2010011821-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-01-28 WO disclosed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
EP-1824826-A4 ARYL SULFONIC PYRIDOXINES AS ANTIPLATELET AGENTS MEDICURE INT INC (BB) 2009-06-03 EP disclosed
EP-1824826-A1 ARYL SULFONIC PYRIDOXINES AS ANTIPLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045204-A1 ARYL SULFONIC PYRIDOXINES AS ANTIPLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed
US-5411980-A Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 US disclosed
US-5281614-A Hypotensive agents, glaucoma or angiotensin antagonists MERCK & CO., INC. (US) 1994-01-25 US disclosed
US-5262412-A Angiotensin II antagonists, hypotensive agents, treatment of congestive heart failure and glaucoma MERCK & CO., INC. (US) 1993-11-16 US disclosed