SCHEMBL7004572

SCHEMBL7004572

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(F)c(C(C)=O)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.45
PTGS1 P23219 9/20 0.43

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
SCHEMBL7000333 0.92 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7001035 0.88 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997769 0.87 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6999217 0.86 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7001471 0.85 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6995791 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7003249 0.83 CHRNA7 (0.38) PTGS2PTGS1
SCHEMBL7001587 0.83 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6999118 0.82 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7002307 0.82 PTGS2 (0.53) 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 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