SCHEMBL7846997

SCHEMBL7846997

Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.64
PTGS1 P23219 2/20 0.54
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CHRM4 P08173 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
SCHEMBL7832885 1.00 PTGS2 (0.64) PTGS2PTGS1TP53MAPTRXFP1
SCHEMBL7842466 0.96 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7846156 0.96 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7844099 0.91 PTGS2 (0.52) PTGS2PTGS1TP53MAPTRXFP1
SCHEMBL7846006 0.91 PTGS2 (0.52) PTGS2PTGS1TP53MAPTRXFP1
SCHEMBL7840235 0.91 PTGS2 (0.66) PTGS2PTGS1TP53MAPT
SCHEMBL7843757 0.91 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7844958 0.91 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7841879 0.91 PTGS2 (0.66) PTGS2PTGS1TP53MAPT
SCHEMBL7841076 0.91 PTGS2 (0.66) 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