SCHEMBL7568422

SCHEMBL7568422

CC1(C)C(=O)C(c2ccc(S(C)(=O)=O)cc2)=C1c1cccc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.73
PTGS1 P23219 13/20 0.73

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
SCHEMBL7568223 0.95 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7565458 0.85 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7567996 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7565288 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7565211 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3832067 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7567995 0.83 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL7569183 0.78 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL29748909 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL439345 0.77 PTGS2 (1.00) 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-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 EP claimed
EP-0889878-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-01-13 EP claimed
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US claimed
WO-1997036863-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-09 WO claimed
EP-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 EP disclosed
EP-0889878-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-01-13 EP disclosed
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US disclosed
WO-1997036863-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-09 WO disclosed