SCHEMBL7845836

SCHEMBL7845836

CS(=O)(=O)c1ccc(-c2nc(C(=O)Nc3cc(F)cc(F)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.62
PTGS1 P23219 2/20 0.56
ESR1 P03372 1/20 0.48
ESRRG P62508 1/20 0.48

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
SCHEMBL7844024 1.00 PTGS2 (0.62) PTGS2PTGS1ESR1ESRRG
SCHEMBL7841011 0.92 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7846158 0.92 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7844347 0.91 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7832323 0.91 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7841022 0.91 ESR1 (0.61) PTGS2PTGS1ESR1ESRRG
SCHEMBL7842507 0.91 ESR1 (0.61) PTGS2PTGS1ESR1ESRRG
SCHEMBL7842350 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7842017 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7843989 0.89 PTGS2 (0.50) 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