SCHEMBL6997291

SCHEMBL6997291

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2coc(F)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.37
PTGS1 P23219 11/20 0.37
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
CHRNA7 P36544 3/20 0.34

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
SCHEMBL7003320 0.90 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL7001237 0.86 PTGS2 (0.40) PTGS2PTGS1KDM4EMEN1PKM
SCHEMBL7001200 0.85 PTGS2 (0.43) PTGS2PTGS1CHRNA7
SCHEMBL7002929 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7000289 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7001383 0.84 PTGS2 (0.36) PTGS2PTGS1KDM4EMEN1PKM
SCHEMBL6999067 0.83 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7002299 0.82 PTGS2 (0.36) PTGS2PTGS1KDM4EMEN1PKM
SCHEMBL7002870 0.82 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6997868 0.81 KDM4E (0.40) PTGS2PTGS1KDM4EMEN1PKM

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