SCHEMBL6972292

SCHEMBL6972292

Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccc(F)cc3c2=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.54
PTGS1 P23219 4/20 0.45
MAPK14 Q16539 2/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PDE4D Q08499 1/20 0.42

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 0.90 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL6970999 0.88 PTGS2 (0.53) PTGS2PTGS1MAPK14
SCHEMBL6976542 0.87 PTGS2 (0.69) PTGS2PTGS1MAPK14
SCHEMBL6980194 0.87 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL6975908 0.87 PTGS2 (0.59) PTGS2PTGS1MAPK14
SCHEMBL6978114 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6973977 0.82 PTGS2 (0.53) PTGS2PTGS1MAPK14
SCHEMBL6976093 0.82 PTGS2 (0.65) PTGS2PTGS1MAPK14
SCHEMBL6973900 0.80 PTGS2 (0.50) PTGS2PTGS1MAPK14
SCHEMBL6978328 0.79 PTGS2 (0.54) 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 12 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
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US claimed
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN claimed
EP-1278520-A4 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2003-05-02 EP disclosed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
EP-1278520-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS Merck & Co., Inc. (US) 2003-01-29 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
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2001034150-A1 ALIPHATIC AMINE SUBSTITUTED PIPERIDYL DIARYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO disclosed
WO-2001034149-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed