SCHEMBL7842819

SCHEMBL7842819

CS(=O)(=O)c1ccc(-c2sc(C(=O)Nc3cccc(Br)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.56
ESR1 P03372 1/20 0.51
ESRRG P62508 1/20 0.51
PTGS1 P23219 2/20 0.50

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
SCHEMBL7845582 1.00 PTGS2 (0.56) PTGS2ESR1ESRRGPTGS1
SCHEMBL7841022 0.91 ESR1 (0.61) PTGS2ESR1ESRRGPTGS1
SCHEMBL7842507 0.91 ESR1 (0.61) PTGS2ESR1ESRRGPTGS1
SCHEMBL7846576 0.90 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7832860 0.90 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7844200 0.89 PTGS2 (0.56) PTGS2ESR1ESRRGPTGS1
SCHEMBL7842577 0.89 PTGS2 (0.56) PTGS2ESR1ESRRGPTGS1
SCHEMBL7841885 0.88 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7842017 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7842350 0.88 PTGS2 (0.64) 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