SCHEMBL7020097

SCHEMBL7020097

CC[N]S(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL7023191 0.79 F2 (0.36) F2PRSS1PRSS2PRSS3EPHX1
SCHEMBL2004945 0.74
SCHEMBL6002041 0.74 EPHX1 (0.42) EPHX1
SCHEMBL7121562 0.68 GAA (0.40) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2000972 0.67
SCHEMBL17226210 0.67 F2 (0.34) F2PRSS1PRSS2PRSS3
SCHEMBL22490111 0.67 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL1917634 0.67 F2 (0.34) F2PRSS1PRSS2PRSS3
SCHEMBL21638702 0.67 F2 (0.34) F2PRSS1PRSS2PRSS3
SCHEMBL21638703 0.67 F2 (0.34) F2PRSS1PRSS2PRSS3

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981864-A ANTICOAGULANTS BOEHRINGER MANNEHIM GMBH (DE) 1991-01-01 US claimed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
EP-0665843-B1 SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2003-08-13 EP disclosed
US-6194436-B1 THERAPY FOR LUNG CANCER PFIZER INC. 2001-02-27 US disclosed
US-5990125-A NK-1 receptor antagonists for the treatment of cancer PFIZER INC. (US) 1999-11-23 US disclosed
US-5837711-A Substituted quinuclidines as substance P antagonists PFIZER INC. (US) 1998-11-17 US disclosed
EP-0773026-A2 NK-1 receptor antagonists for the treatment of cancer PFIZER INC. (US) 1997-05-14 EP disclosed
US-5569662-A ANTIINFLAMMATORY AGENT, GASTROINTESTINAL DISORDERS, NERVOUS SYSTEM DISORDERS, ANTIASTHMA AGENTS, ANALGESICS PFIZER INC. (US) 1996-10-29 US disclosed
EP-0665843-A1 SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-08-09 EP disclosed
US-5414088-A Anticoagluants BOEHRINGER MANNHEIM GMBH (DE) 1995-05-09 US disclosed
US-4831032-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE, ISOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-16 US disclosed
US-4810801-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-03-07 US disclosed
EP-0280224-A2 Substituted 3H-indoles, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1988-08-31 EP disclosed
EP-0271040-A2 Pyrrolobenzimidazoles, process for their preparation, and medicaments Roche Diagnostics GmbH (DE) 1988-06-15 EP disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
US-4696931-A CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-09-29 US disclosed
EP-0207483-A2 Benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1987-01-07 EP disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed
US-4582837-A Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity DR. KARL THOMAE GMBH (DE) 1986-04-15 US disclosed
EP-0098448-A2 Imidazole derivatives, their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1984-01-18 EP disclosed