SCHEMBL5205434

SCHEMBL5205434

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.54
PTGS1 P23219 7/20 0.53
PDPK1 O15530 5/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KEAP1 Q14145 1/20 0.46
PTGES O14684 1/20 0.44

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
SCHEMBL5273552 0.90 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5201554 0.86 PTGS2 (0.42) PTGS2PTGS1PDPK1CA12CA1
SCHEMBL5208209 0.86 PTGS2 (0.67) PTGS2PTGS1PDPK1KEAP1
SCHEMBL5202257 0.84 PTGS1 (0.39) PTGS2PTGS1
SCHEMBL5205226 0.81 PDPK1 (0.53) PTGS2PTGS1PDPK1KEAP1
SCHEMBL5205217 0.79
SCHEMBL5201561 0.78 PDPK1 (0.61) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5205228 0.76 PTGS2 (0.67) PTGS2PTGS1PDPK1CA12CA1
SCHEMBL5865285 0.76 PTGS2 (0.52) PTGS2PTGS1PDPK1CA12CA1
SCHEMBL5205814 0.76 PTGS1 (0.52) PTGS2PTGS1PDPK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1769/4885PTGS1 523/4885PDPK1 1111/4885

“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.