SCHEMBL6996147

SCHEMBL6996147

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cn[nH]c2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.42
ILK Q13418 1/20 0.40
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 3/20 0.39
CA12 O43570 3/20 0.39
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CCNC P24863 3/20 0.35
CDK8 P49336 3/20 0.35
HASPIN Q8TF76 2/20 0.35
CDK19 Q9BWU1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6995648 0.89 PTGS2 (0.43) PTGS2
SCHEMBL6999688 0.81 PTGS2 (0.60) PTGS2CA2CA9CA1CA12
SCHEMBL6999710 0.80 CA2 (0.49) PTGS2CA2CA9CA1CA12
SCHEMBL7002002 0.80 PTGS2 (0.56) PTGS2CA2CA9CA1CA12
SCHEMBL7000106 0.79 CA2 (0.53) PTGS2CA2CA9CA1CA12
SCHEMBL6992672 0.79 PTGS2 (0.51) PTGS2
SCHEMBL7003386 0.79 CA2 (0.49) PTGS2CA2CA9CA1CA12
SCHEMBL6998878 0.79 PTGS2 (0.57) PTGS2CA2CA9CA1CA12
SCHEMBL7001899 0.79 CA2 (0.57) PTGS2CA2CA9CA1CA12
SCHEMBL6997404 0.78 PTGS2 (0.44) 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 5 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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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