SCHEMBL7566400

SCHEMBL7566400

CC(C)(C)C(=O)OC1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)C1(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.62
PTGS1 P23219 7/20 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
SCHEMBL7566106 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7568203 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7567373 0.83 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7568644 0.82 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7567359 0.82 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7569123 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7566413 0.77 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7572803 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7491502 0.71 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7567376 0.71 PTGS2 (0.79) 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 6 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
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US 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