SCHEMBL7001237

SCHEMBL7001237

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2coc(F)c2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.40
PTGS1 P23219 14/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7001909 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997291 0.86 PTGS2 (0.37) PTGS2PTGS1KDM4EMEN1PKM
SCHEMBL7004184 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6992672 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6993821 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7001094 0.82 PTGS2 (0.39) PTGS2PTGS1KDM4EMEN1PKM
Polmacoxib SCHEMBL3233093 0.81 PTGS2 (0.55) PTGS2PTGS1
Polmacoxib SCHEMBL29351757 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6999688 0.81 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7002954 0.81 MAOA (0.49) PTGS2PTGS1

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