SCHEMBL5207432

SCHEMBL5207432

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
PTGS1 P23219 7/20 0.56
KEAP1 Q14145 1/20 0.53
CYP2C9 P11712 1/20 0.52
EPHX2 P34913 1/20 0.52
PDPK1 O15530 3/20 0.51

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
SCHEMBL5204127 0.89 PTGS2 (0.70) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL6958517 0.88 PTGS2 (0.67) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL5273708 0.88 PTGS2 (0.67) PTGS2PTGS1CYP2C9
SCHEMBL5205129 0.87 PTGS2 (0.62) PTGS2PTGS1PDPK1
SCHEMBL5204716 0.85 PTGS2 (0.62) PTGS2PTGS1KEAP1CYP2C9PDPK1
SCHEMBL5205170 0.84 KDM4E (0.48) PTGS2PTGS1KEAP1CYP2C9EPHX2
SCHEMBL5205952 0.84 CA2 (0.57) PTGS2PTGS1
SCHEMBL4674149 0.84 PDPK1 (0.69) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL5204541 0.82 PTGS2 (0.55) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL5202832 0.82 PTGS2 (0.65) PTGS2PTGS1CYP2C9PDPK1

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-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
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 1769/4885PTGS1 523/4885KEAP1 3484/4885

“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.