SCHEMBL5865452

SCHEMBL5865452

CNc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CHRNA7 P36544 1/20 0.41
CA4 P22748 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL5205365 0.90 PTGS1 (0.52) PTGS1PTGS2
SCHEMBL5207409 0.89 PTGS2 (0.49) PTGS1PTGS2CA12CA1CA2
Dimethylamine SCHEMBL5205078 0.88 PTGS2 (0.45) PTGS1PTGS2CHRNA7
SCHEMBL5865304 0.87 PTGS1 (0.46) PTGS1PTGS2CA12CA1CA2
SCHEMBL5205172 0.87 PTGS2 (0.49) PTGS1PTGS2CA12CA1CA2
SCHEMBL5207661 0.87 KIF11 (0.49) PTGS1PTGS2CA12CA1CA2
SCHEMBL5205167 0.86 PDPK1 (0.49) PTGS1PTGS2CA12CA1CA2
SCHEMBL5239915 0.86 PTGS2 (0.50) PTGS1PTGS2CA12CA1CA2
SCHEMBL5207586 0.86 PTGS2 (0.47) PTGS1PTGS2CA12CA1CA2
SCHEMBL5204581 0.85 PTGS2 (0.48) 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 7 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
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
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

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 1769/4885CA12 3729/4885

“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.