SCHEMBL6993233

SCHEMBL6993233

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccs2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
CA2 P00918 9/20 0.47
CA9 Q16790 8/20 0.47
CA1 P00915 6/20 0.47
CA12 O43570 3/20 0.47
CA13 Q8N1Q1 1/20 0.39
PTGS1 P23219 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA4 P22748 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7000867 0.89 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7002002 0.81 PTGS2 (0.56) PTGS2CA2CA9CA1CA12
SCHEMBL6999625 0.80 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6999996 0.80 PTGS2 (0.40) PTGS2PTGS1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL6995948 0.80 PTGS2 (0.39) PTGS2CA2CA9CA1CA12
SCHEMBL6999688 0.79 PTGS2 (0.60) PTGS2CA2CA9CA1CA12
SCHEMBL7002398 0.79 PTGS2 (0.47) PTGS2CA2CA9CA1CA12
SCHEMBL6999628 0.79 PTGS2 (0.44) PTGS2CA2CA9CA12PTGS1
SCHEMBL6999710 0.79 CA2 (0.49) PTGS2CA2CA9CA1CA12
SCHEMBL6995154 0.78 CA2 (0.60) PTGS2CA2CA9CA1CA12

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 6 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
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