SCHEMBL8093063

SCHEMBL8093063

CCCCOc1nc(-c2ccc(SC)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.80
PTGS1 P23219 7/20 0.80

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
SCHEMBL8095136 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8085593 0.90 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8093872 0.90 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL8093929 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8094717 0.89 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8086268 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8086506 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8094776 0.82 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8086507 0.82 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8093708 0.82 PTGS2 (0.59) 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 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