Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2146753

Cn1nnc2c(C#N)nc(-c3ccc(OCCC4CCNCC4)c(C(F)(F)F)c3)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.90
CTSK P43235 10/20 0.72

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
SCHEMBL2146408 0.95 CTSS (1.00) CTSSCTSK
Trifluoroacetic Acid SCHEMBL2146528 0.93 CTSS (0.78) CTSSCTSK
Trifluoroacetic Acid SCHEMBL2146372 0.88 CTSS (0.70) CTSSCTSK
SCHEMBL2146516 0.88 CTSS (0.86) CTSSCTSK
SCHEMBL2146880 0.87 CTSS (0.75) CTSSCTSK
SCHEMBL2146892 0.87 CTSS (0.81) CTSSCTSK
SCHEMBL13642030 0.85 CTSS (0.82) CTSSCTSK
SCHEMBL2147121 0.85 CTSS (0.84) CTSSCTSK
SCHEMBL2146615 0.85 CTSS (0.78) CTSSCTSK
SCHEMBL13584629 0.84 CTSS (0.79) CTSSCTSK

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
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
EP-2523954-B1 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4- CARBONITRILE DERIVATIVES AS CATHEPSIN S INHIBITORS MERCK SHARP & DOHME (NL) 2014-04-16 EP disclosed
EP-2523954-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD Oss B.V. (NL) 2012-11-21 EP disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 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-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ CTSS 1/4885CTSK 6/4885

“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.