SCHEMBL6997220

SCHEMBL6997220

CC(C)n1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.39
CA2 P00918 5/20 0.36
CA9 Q16790 4/20 0.36
CA1 P00915 3/20 0.36
CA12 O43570 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
KMT2A Q03164 2/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL6997713 0.90 PTGS2 (0.40) PTGS2
SCHEMBL6999187 0.88 PTGS2 (0.36) PTGS2CA2CA9CA1CA12
SCHEMBL6997404 0.85 PTGS2 (0.44) PTGS2CA2CA9CA1CA12
SCHEMBL7002714 0.83 PTGS2 (0.39) PTGS2CA2CA9CA1CA12
SCHEMBL6997858 0.78 PTGS2 (0.43) PTGS2PRMT5WDR77APLNR
SCHEMBL6996147 0.77 PTGS2 (0.42) PTGS2CA2CA9CA1CA12
SCHEMBL6999688 0.77 PTGS2 (0.60) PTGS2CA2CA9CA1CA12
SCHEMBL6999710 0.77 CA2 (0.49) PTGS2CA2CA9CA1CA12
SCHEMBL7002002 0.76 PTGS2 (0.56) PTGS2CA2CA9CA1CA12
SCHEMBL6999948 0.76 PTGS2 (0.43) 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 4 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