SCHEMBL7833299

SCHEMBL7833299

CSc1ccc(-c2sc(-c3c(F)c(F)c(F)c(F)c3F)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.47
PTGS1 P23219 4/20 0.47
MAPK13 O15264 4/20 0.43
GCGR P47871 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
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
SCHEMBL6505614 0.84 PTGS2 (0.66) PTGS2MAPK13GCGRMAPK12MAPK11
SCHEMBL7832748 0.84 PTGS2 (0.66) PTGS2MAPK13GCGRMAPK12MAPK11
SCHEMBL7833390 0.81 PTGS2 (0.62) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL7844983 0.81 PTGS2 (0.62) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL7832068 0.81 PTGS2 (0.68) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL7844062 0.80 PTGS2 (0.52) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL7842639 0.80 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8808319 0.80 PTGS2 (0.47) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL7845143 0.80 PTGS1 (0.44) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL7841674 0.78 PTGS2 (0.75) PTGS2PTGS1

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