SCHEMBL6997585

SCHEMBL6997585

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2F)=C(c2cccc(F)c2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.57
PTGS1 P23219 9/20 0.57
SCD O00767 1/20 0.38
PGR P06401 1/20 0.37

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
SCHEMBL7001723 0.90 PTGS2 (0.48) PTGS2PTGS1PGR
SCHEMBL6994338 0.90 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997003 0.90 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6995060 0.89 PTGS2 (0.45) PTGS2PTGS1SCD
SCHEMBL6999969 0.89 PTGS2 (0.55) PTGS2PTGS1SCD
SCHEMBL6999885 0.87 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6997353 0.87 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6995804 0.86 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6995054 0.86 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003099 0.86 PTGS2 (0.69) PTGS2PTGS1PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed