SCHEMBL5205315

SCHEMBL5205315

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(Cl)c(Cl)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.51
PTGS2 P35354 7/20 0.51
KMT2A Q03164 1/20 0.44
PDPK1 O15530 2/20 0.41
CHRNA7 P36544 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL5201702 0.92 PTGS2 (0.54) PTGS1PTGS2CHRNA7
SCHEMBL5204798 0.92 PTGS2 (0.45) PTGS1PTGS2CHRNA7
SCHEMBL5204372 0.89
SCHEMBL5202704 0.88 PTGS2 (0.57) PTGS1PTGS2
SCHEMBL5204598 0.88 PTGS2 (0.57) PTGS1PTGS2CHRNA7
SCHEMBL5239915 0.88 PTGS2 (0.50) PTGS1PTGS2PDPK1CHRNA7CA12
SCHEMBL5205322 0.87 PTGS2 (0.50) PTGS1PTGS2PDPK1CA12CA1
SCHEMBL5202554 0.86 CHRNA7 (0.44) PTGS1PTGS2PDPK1CHRNA7CA12
SCHEMBL5865569 0.86 PTGS2 (0.52) PTGS1PTGS2CHRNA7CA1CA2
SCHEMBL5201141 0.86 PTGS2 (0.53) PTGS1PTGS2CHRNA7

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 PTGS1 523/4885PTGS2 1769/4885KMT2A 2661/4885

“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.