SCHEMBL7845809

SCHEMBL7845809

CSc1ccc(-c2sc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.64
PTGS1 P23219 3/20 0.64
MAPK13 O15264 5/20 0.44
MAPK12 P53778 5/20 0.44
MAPK11 Q15759 5/20 0.44
MAPK14 Q16539 5/20 0.44
GCGR P47871 4/20 0.44
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
ALOX5 P09917 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MATK P42679 1/20 0.42
FRK P42685 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42

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
SCHEMBL7839874 1.00 PTGS2 (0.64) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7841801 0.89 PTGS2 (0.64) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL11565385 0.88 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7833390 0.81 PTGS2 (0.62) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7844983 0.81 PTGS2 (0.62) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8297008 0.78 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL214771 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214754 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7841792 0.78 PTGS2 (0.64) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7833299 0.78 PTGS2 (0.47) PTGS2PTGS1MAPK13MAPK12MAPK11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037193-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed
WO-2005018569-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 WO disclosed
WO-2005007156-A1 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
WO-2004093814-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM CHANNEL BLOCKER PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093813-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CALCIUM MODULATING AGENT FOR THE TREATMENT OF PAIN, INFLAMMATION OR INFLAMMATION MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed