SCHEMBL6987233

SCHEMBL6987233

CC(C)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)C(C)(C)OC2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.81
PTGS1 P23219 10/20 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
SCHEMBL7618276 0.86 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL213125 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6992349 0.85 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6512384 0.84 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL3240080 0.84 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7625395 0.83 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6988368 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7620854 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6986761 0.81 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7616688 0.81 PTGS2 (0.82) 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-0799218-B1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-02-19 EP 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
EP-0799218-B1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
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
EP-0802915-A1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORP (KR) 1997-10-29 EP disclosed
EP-0799218-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-08 EP disclosed
WO-1996019469-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-06-27 WO disclosed