SCHEMBL5205129

SCHEMBL5205129

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.62
PTGS1 P23219 6/20 0.62
PDPK1 O15530 2/20 0.59
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
KDR P35968 1/20 0.54
CA7 P43166 1/20 0.54

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
Dimethylamine SCHEMBL5865320 0.95 PTGS2 (0.57) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5203083 0.88 PTGS2 (0.62) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5204716 0.88 PTGS2 (0.62) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5207563 0.88 PTGS2 (0.62) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5204981 0.88 PTGS2 (0.65) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5235013 0.88 PTGS2 (0.62) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5204127 0.88 PTGS2 (0.70) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5204799 0.87 PTGS2 (0.63) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5205045 0.87 PTGS2 (0.65) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL5865454 0.87 PTGS2 (0.62) PTGS2PTGS1

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
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
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 US claimed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP 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
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 US disclosed
JP-2003064061-A SULFONYLARYLTRIAZOLE AS ANTIINFLAMMATORY/ANALGESIC AGENT PFIZER PROD INC 2003-03-05 JP disclosed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP 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 (2 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-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SULT2A1, AHR, SULT1A1 PTGS2 287/4885PTGS1 50/4885PDPK1 3459/4885
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.