SCHEMBL7003249

SCHEMBL7003249

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.38
PTGS2 P35354 7/20 0.37
PTGS1 P23219 4/20 0.37
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34

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 0.91 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6999364 0.88 CHRNA7 (0.41) CHRNA7PTGS2PTGS1CYP2D6
SCHEMBL7003008 0.88 CHRNA7 (0.40) CHRNA7PTGS2PTGS1GAA
SCHEMBL7000289 0.87 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6999843 0.83 CA1 (0.42) PTGS2
SCHEMBL7004572 0.83 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997522 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7001200 0.82 PTGS2 (0.43) CHRNA7PTGS2PTGS1
SCHEMBL7002929 0.82 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6999067 0.81 PTGS2 (0.48) 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