SCHEMBL6997771

SCHEMBL6997771

CCCCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CA1 P00915 7/20 0.47
CA9 Q16790 6/20 0.47
CA12 O43570 5/20 0.47
PDPK1 O15530 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL6999427 0.89 CA2 (0.43) CA2SMN1; SMN2PTGS2
SCHEMBL7002267 0.88 CA2 (0.54) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL6999688 0.82 PTGS2 (0.60) CA2CA1CA9CA12PTGS2
SCHEMBL7006220 0.82 PTGS2 (0.43) CA2PTGS2
SCHEMBL7002002 0.81 PTGS2 (0.56) CA2CA1CA9CA12LMNA
SCHEMBL6998878 0.80 PTGS2 (0.57) CA2CA1CA9CA12PTGS2
SCHEMBL7003386 0.80 CA2 (0.49) CA2CA1CA9CA12MEN1
SCHEMBL7000106 0.80 CA2 (0.53) CA2CA1CA9CA12MEN1
SCHEMBL6992672 0.80 PTGS2 (0.51) PTGS2
SCHEMBL7001351 0.80 CA2 (0.45) CA2CA1CA9CA12MEN1

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