SCHEMBL7960201

SCHEMBL7960201

C=CCOc1cccc(C2=C(c3ccc(S(C)(=O)=O)cc3)C(C)(C)OC2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.62
PTGS1 P23219 11/20 0.62

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
SCHEMBL6990514 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6964255 0.81 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6991524 0.78 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL29748909 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7619483 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL439345 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL213125 0.76 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7616688 0.76 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7624385 0.76 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6988368 0.74 PTGS2 (0.69) 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
US-6222048-B1 AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-24 US claimed
EP-0799218-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-08 EP claimed
WO-1996019469-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-06-27 WO claimed
US-6222048-B1 AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-24 US disclosed
WO-1996019469-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-06-27 WO disclosed