SCHEMBL7001355

SCHEMBL7001355

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2ccccc2Cl)C1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
PTGS1 P23219 2/20 0.39
PGR P06401 1/20 0.38
BRAF P15056 5/20 0.38
HSD11B1 P28845 2/20 0.36
STK10 O94804 1/20 0.35
SLK Q9H2G2 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
SCHEMBL6998777 0.90 BRAF (0.39) PTGS2PTGS1PGRBRAF
SCHEMBL6995613 0.90 PTGS2 (0.40) PTGS2PTGS1PGRBRAF
SCHEMBL7651917 0.87 BRAF (0.38) PTGS2PTGS1BRAF
SCHEMBL6992554 0.85 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6994262 0.85 KIF11 (0.37) PTGS2PTGS1BRAFSTK10SLK
SCHEMBL7002741 0.84 PTGS2 (0.44) PTGS2PTGS1PGRBRAF
SCHEMBL7001857 0.84 PTGS2 (0.40) PTGS2PTGS1PGRBRAF
SCHEMBL6998443 0.83 PTGS2 (0.41) PTGS2PTGS1PGRBRAF
SCHEMBL7002132 0.82 BRAF (0.42) PTGS2PTGS1BRAF
SCHEMBL6994072 0.82 BRAF (0.42) PTGS2PTGS1BRAF

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