SCHEMBL7001385

SCHEMBL7001385

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2occc2F)C1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.37
PTGS1 P23219 11/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6999578 0.90 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7001097 0.86 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7002929 0.83 PTGS2 (0.47) PTGS2PTGS1CA12CA1CA2
SCHEMBL7000289 0.82 PTGS2 (0.46) PTGS2PTGS1CA1CA2
SCHEMBL7001200 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6997291 0.80 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL6997522 0.80 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6999267 0.80 PTGS2 (0.45) PTGS2PTGS1CA12CA1CA2
SCHEMBL6998817 0.80 KDM4E (0.38) PTGS2PTGS1CA12CA1CA2
SCHEMBL6997975 0.80 PTGS2 (0.41) PTGS2PTGS1CA12CA1CA2

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