SCHEMBL7841302

SCHEMBL7841302

CS(=O)(=O)c1ccccc1-c1sc(COc2ccc(F)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.51
PTGS1 P23219 2/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.44
PPARD Q03181 5/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL7844271 0.97 PTGS2 (0.53) PTGS2PTGS1NPC1RAB9AKMT2A
SCHEMBL7842156 0.96 PTGS2 (0.48) PTGS2PTGS1NPC1RAB9AKMT2A
SCHEMBL7833513 0.95 PTGS2 (0.53) PTGS2PTGS1NPC1RAB9AKMT2A
SCHEMBL7845661 0.95 PTGS2 (0.49) PTGS2PTGS1NPC1RAB9AKMT2A
SCHEMBL7843072 0.93 PTGS2 (0.52) PTGS2PTGS1ALOX5PPARD
SCHEMBL7843555 0.92 PTGS2 (0.51) PTGS2PTGS1NPC1RAB9AKMT2A
SCHEMBL7833526 0.91 PTGS2 (0.48) PTGS2PTGS1ALOX5PPARD
SCHEMBL6246548 0.90 PTGS2 (0.65) PTGS2PTGS1ALOX5PPARD
SCHEMBL7846132 0.89 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7843634 0.89 PTGS2 (0.55) PTGS2PTGS1RAB9AKMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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