SCHEMBL7565222

SCHEMBL7565222

CC(=O)OC1(OC(C)=O)C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)C1(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.47
PTGS1 P23219 7/20 0.47

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
SCHEMBL8607565 0.90 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7565227 0.75 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7572226 0.75 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8610813 0.72 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7569000 0.70 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7569466 0.70 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7568203 0.69 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7566106 0.69 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8770202 0.69 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL1687503 0.69 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
EP-0889878-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-01-13 EP 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
WO-1997036863-A1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-09 WO disclosed