SCHEMBL8086484

SCHEMBL8086484

CCCCOc1nc(-c2cccc(SC)c2)c(-c2ccc(S(C)(=O)=O)cc2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.52
PTGS1 P23219 5/20 0.52
CNR1 P21554 5/20 0.42
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL8094646 0.92 PTGS2 (0.42) PTGS2PTGS1CNR1MAPK8
SCHEMBL8086268 0.91 PTGS2 (0.57) PTGS2PTGS1CNR1MAPK8MAPK9
SCHEMBL8086716 0.89 PTGS2 (0.53) PTGS2PTGS1CNR1
SCHEMBL8086926 0.87 PTGS2 (0.52) PTGS2PTGS1CNR1MAPK8MAPK9
SCHEMBL8085593 0.85 PTGS2 (0.71) PTGS2PTGS1CNR1
SCHEMBL8086011 0.85 PTGS2 (0.59) PTGS2PTGS1CNR1
SCHEMBL8093419 0.84 PTGS2 (0.72) PTGS2PTGS1CNR1
SCHEMBL8094773 0.84 PTGS2 (0.58) PTGS2PTGS1CNR1
SCHEMBL8101344 0.84 PTGS2 (0.58) PTGS2PTGS1CNR1MAPK8MAPK9
SCHEMBL8098696 0.82 PTGS2 (0.47) PTGS2PTGS1CNR1MAPK8

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 8 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 claimed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO claimed
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