SCHEMBL7003386

SCHEMBL7003386

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(O)cc2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.49
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
CA1 P00915 3/20 0.49
PTGS2 P35354 11/20 0.47
CA7 P43166 2/20 0.42
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 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
SCHEMBL6999688 0.89 PTGS2 (0.60) CA2CA12CA9CA1PTGS2
SCHEMBL7002325 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7002002 0.88 PTGS2 (0.56) CA2CA12CA9CA1PTGS2
SCHEMBL7000106 0.86 CA2 (0.53) CA2CA12CA9CA1PTGS2
SCHEMBL6992672 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6998878 0.86 PTGS2 (0.57) CA2CA12CA9CA1PTGS2
SCHEMBL6994970 0.86 CA2 (0.46) CA2CA12CA9CA1PTGS2
SCHEMBL6999710 0.85 CA2 (0.49) CA2CA12CA9CA1PTGS2
SCHEMBL6999809 0.84 PTGS2 (0.46) CA2CA12CA9CA1PTGS2
SCHEMBL7002267 0.84 CA2 (0.54) CA2CA12CA9CA1PTGS2

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