SCHEMBL5201098

SCHEMBL5201098

COc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.43
PTGS1 P23219 4/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 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
SCHEMBL5865427 0.91
SCHEMBL5201642 0.88 PTGS2 (0.52) PTGS2PTGS1KDM4ECA1CA2
SCHEMBL5207803 0.87 PTGS2 (0.54) PTGS2PTGS1CA1CA2
SCHEMBL5204520 0.86 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA9
SCHEMBL5202564 0.84 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA9
SCHEMBL5203773 0.83 PTGS2 (0.53) PTGS2PTGS1MEN1MAPTKMT2A
SCHEMBL5865557 0.83 CA2 (0.46) PTGS2PTGS1CA1CA2CA9
SCHEMBL5205173 0.82 PTGS2 (0.56) PTGS2PTGS1ALDH1A1
SCHEMBL5204598 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5202704 0.81 PTGS2 (0.57) 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 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 523/4885KDM4E 3830/4885

“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.