SCHEMBL6997972

SCHEMBL6997972

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc(F)cs2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.36
PTGS1 P23219 11/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CHRNA7 P36544 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA7 P43166 1/20 0.32

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
SCHEMBL6999625 0.87 PTGS2 (0.39) PTGS2PTGS1MAOAMAOB
SCHEMBL7002299 0.84 PTGS2 (0.36) PTGS2PTGS1CA12CA1CA2
SCHEMBL7001200 0.84 PTGS2 (0.43) PTGS2PTGS1CHRNA7MAOAMAOB
SCHEMBL7002929 0.83 PTGS2 (0.47) PTGS2PTGS1CA12CA1CA2
SCHEMBL6999679 0.83 PTGS2 (0.36) PTGS2PTGS1CA12CA1CA2
SCHEMBL6999067 0.81 PTGS2 (0.48) PTGS2PTGS1CA12CA1CA2
SCHEMBL7000289 0.81 PTGS2 (0.46) PTGS2PTGS1CA1CA2
SCHEMBL7001383 0.80 PTGS2 (0.36) PTGS2PTGS1CA12CA1CA2
SCHEMBL6997975 0.80 PTGS2 (0.41) PTGS2PTGS1CA12CA1CA2
SCHEMBL6997291 0.79 PTGS2 (0.37) PTGS2PTGS1CHRNA7

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