SCHEMBL6973977

SCHEMBL6973977

CS(=O)(=O)c1ccc(-c2oc3cc(F)ccc3c(=O)c2-c2ccc(F)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
PTGS1 P23219 3/20 0.44
MAPK14 Q16539 2/20 0.43
TDO2 P48775 1/20 0.41

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
SCHEMBL6971876 0.92 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL6973900 0.90 PTGS2 (0.50) PTGS2PTGS1MAPK14
SCHEMBL6975494 0.90 PTGS2 (0.64) PTGS2PTGS1MAPK14
SCHEMBL6979302 0.89 PTGS2 (0.53) PTGS2PTGS1MAPK14TDO2
SCHEMBL6969962 0.88 PTGS2 (0.48) PTGS2PTGS1TDO2
SCHEMBL6972454 0.87 PTGS2 (0.52) PTGS2PTGS1MAPK14
SCHEMBL6972292 0.82 PTGS2 (0.54) PTGS2PTGS1MAPK14
SCHEMBL6970999 0.81 PTGS2 (0.53) PTGS2PTGS1MAPK14
SCHEMBL6979214 0.81 PTGS2 (0.55) PTGS2PTGS1MAPK14TDO2
SCHEMBL6978114 0.80 PTGS2 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP claimed
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN claimed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN disclosed