SCHEMBL5205170

SCHEMBL5205170

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PTGS2 P35354 13/20 0.43
PTGS1 P23219 7/20 0.43
CHRNA7 P36544 1/20 0.43
EPHX2 P34913 2/20 0.42
KEAP1 Q14145 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5205063 0.90 PTGS2 (0.53) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL5204326 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6166712 0.89 PTGS2 (0.53) KDM4EGAAPTGS2PTGS1CHRNA7
SCHEMBL5204581 0.88 PTGS2 (0.48) PTGS2PTGS1CHRNA7
SCHEMBL5207661 0.87 KIF11 (0.49) PTGS2PTGS1CHRNA7CA12CA1
SCHEMBL5202564 0.86 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA9
SCHEMBL5207432 0.84 PTGS2 (0.56) PTGS2PTGS1EPHX2KEAP1CYP2C9
Dimethylamine SCHEMBL5205078 0.84 PTGS2 (0.45) PTGS2PTGS1CHRNA7
SCHEMBL5865465 0.84 PTGS2 (0.53) PTGS2PTGS1CA12CA1CA2
SCHEMBL5202554 0.84 CHRNA7 (0.44) PTGS2PTGS1CHRNA7CA12CA1

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 KDM4E 3830/4885GAA 1506/4885PTGS2 1769/4885

“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.