SCHEMBL5201832

SCHEMBL5201832

COc1ccccc1-c1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.66
KDM4E B2RXH2 1/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS1 P23219 2/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5201574 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5865616 0.86 PTGS2 (0.63) PTGS2PTGS1CYP2C9
SCHEMBL5203297 0.86 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL27611184 0.85 PTGS2 (0.53) PTGS2KDM4EMITFLMNAHPGD
SCHEMBL5204949 0.84 PTGS2 (0.49) PTGS2PTGS1CYP2C9
SCHEMBL5278747 0.81 PTGS2 (0.53) PTGS2PTGS1CYP2C9
SCHEMBL5204998 0.81 PTGS2 (0.56) PTGS2LMNAHPGDHTTNPSR1
SCHEMBL5865454 0.81 PTGS2 (0.62) PTGS2PTGS1CYP2C9
SCHEMBL5205095 0.80 PTGS2 (0.54) PTGS2PTGS1CYP2C9
SCHEMBL5201391 0.79 PTGS2 (0.68) PTGS2PTGS1CYP2C9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539718-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORP (KR) 2007-08-01 EP claimed
US-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US claimed
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN claimed
EP-1539718-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-06-15 EP claimed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 US claimed
WO-2004014878-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-02-19 WO claimed
CN-101012203-B 1,2,4-triazol derivatives, method for preparing the same CJ CORP 2011-02-16 CN disclosed
CN-100357277-C 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-101012203-A 1,2,4-triazol derivatives, method for preparing the same CJ CORP (KR) 2007-08-08 CN disclosed
EP-1539718-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORP (KR) 2007-08-01 EP disclosed
US-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US disclosed
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN disclosed
EP-1539718-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-06-15 EP disclosed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 US disclosed
WO-2004014878-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-02-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 PTGS2 1769/4885KDM4E 3830/4885MITF 1918/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.