SCHEMBL5865569

SCHEMBL5865569

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.52
PTGS1 P23219 4/20 0.52
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CHRNA7 P36544 1/20 0.42
KIF11 P52732 1/20 0.41

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
SCHEMBL5205583 0.92 PTGS1 (0.46) PTGS2PTGS1CA1CA2CHRNA7
SCHEMBL5203115 0.92 PTGS2 (0.44) PTGS2PTGS1CA1CA2CHRNA7
SCHEMBL5201449 0.89 PTGS2 (0.52) PTGS2
SCHEMBL5205173 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5205172 0.88 PTGS2 (0.49) PTGS2PTGS1CA1CA2CHRNA7
SCHEMBL5202554 0.87 CHRNA7 (0.44) PTGS2PTGS1CA1CA2CHRNA7
SCHEMBL5201651 0.87 PTGS2 (0.51) PTGS2PTGS1CA1CA2KIF11
SCHEMBL5239915 0.87 PTGS2 (0.50) PTGS2PTGS1CA1CA2CHRNA7
SCHEMBL5205534 0.87 PTGS2 (0.44) PTGS2PTGS1CA1CA2CHRNA7
SCHEMBL5207586 0.87 PTGS2 (0.47) PTGS2PTGS1CA1CA2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGS2 1769/4885PTGS1 523/4885CA1 1852/4885

“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.