SCHEMBL7002267

SCHEMBL7002267

CCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.54
PTGS2 P35354 10/20 0.46
PTGS1 P23219 2/20 0.46
EGFR P00533 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL7002403 0.88 PTGS2 (0.45) PTGS2PTGS1EGFR
SCHEMBL6997771 0.88 CA2 (0.58) CA2PTGS2SMN1; SMN2CA1CA9
SCHEMBL6999688 0.87 PTGS2 (0.60) CA2PTGS2PTGS1CA1CA9
SCHEMBL7002002 0.85 PTGS2 (0.56) CA2PTGS2PTGS1CA1CA9
SCHEMBL6992672 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7003386 0.84 CA2 (0.49) CA2PTGS2PTGS1CA1CA9
SCHEMBL6998878 0.84 PTGS2 (0.57) CA2PTGS2PTGS1CA1CA9
SCHEMBL7000106 0.84 CA2 (0.53) CA2PTGS2CA1CA9CA12
SCHEMBL7001351 0.84 CA2 (0.45) CA2PTGS2CA1CA9CA12
SCHEMBL6999710 0.83 CA2 (0.49) CA2PTGS2CA1CA9CA12

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 8 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed