SCHEMBL8096151

SCHEMBL8096151

CS(=O)(=O)c1ccc(-c2cc(C#N)c(OCc3cccs3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.49
PTGS1 P23219 4/20 0.49
CNR1 P21554 8/20 0.47
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 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
SCHEMBL8093710 0.91 CNR1 (0.47) PTGS2PTGS1CNR1
SCHEMBL8095103 0.86 CNR1 (0.61) PTGS2PTGS1CNR1MAPK13MAPK12
SCHEMBL8086786 0.85 CNR1 (0.64) PTGS2PTGS1CNR1
SCHEMBL8101395 0.84 CNR1 (0.55) PTGS2PTGS1CNR1MAPK13MAPK12
SCHEMBL8095250 0.84 PTGS2 (0.49) PTGS2PTGS1CNR1
SCHEMBL8100740 0.84 PTGS2 (0.58) PTGS2PTGS1CNR1
SCHEMBL8099392 0.83 PTGS2 (0.50) PTGS2PTGS1CNR1MAPK13MAPK12
SCHEMBL8092731 0.82 PTGS2 (0.64) PTGS2PTGS1CNR1MAPK13MAPK12
SCHEMBL8086096 0.82 CNR1 (0.69) PTGS2PTGS1CNR1MAPK13MAPK12
SCHEMBL8093419 0.81 PTGS2 (0.72) PTGS2PTGS1CNR1MAPK13MAPK12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed