SCHEMBL7844816

SCHEMBL7844816

CC(=O)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.57
PTGS1 P23219 11/20 0.56

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
SCHEMBL7846327 1.00 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7832482 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7833031 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7844762 0.89 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7842561 0.89 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7840109 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7833455 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7844979 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7845262 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7844194 0.84 CA2 (0.58) 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