SCHEMBL8095596

SCHEMBL8095596

C=CCSc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.46
PTGS1 P23219 4/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 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
SCHEMBL8093245 0.90 ALDH1A1 (0.45) PTGS2PTGS1ALDH1A1LMNACNR1
SCHEMBL8092804 0.86 MAPK13 (0.59) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8085735 0.84 PTGS2 (0.52) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8086624 0.82 PTGS2 (0.56) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8099590 0.82 PTGS2 (0.54) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8095119 0.81 HPGD (0.47) PTGS2PTGS1ALDH1A1LMNA
SCHEMBL8085292 0.81 PTGS2 (0.52) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8086508 0.81 PTGS2 (0.60) PTGS2PTGS1ALDH1A1LMNA
SCHEMBL8094759 0.81 PTGS2 (0.55) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL8095222 0.81 PTGS2 (0.53) 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 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