Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4883046

NCC(=O)c1cccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.63
PLOD3 O60568 1/20 0.63
PLOD1 Q02809 1/20 0.63
ALDH1A1 P00352 3/20 0.51
APP P05067 1/20 0.51
GAA P10253 1/20 0.51
HCAR3 P49019 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
HDAC1 Q13547 2/20 0.44

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
SCHEMBL2296114 0.88 PLOD2 (0.65) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL29786297 0.88 PLOD2 (0.65) PLOD2PLOD3PLOD1ALDH1A1APP
Hydrochloric Acid SCHEMBL5419648 0.87 PLOD2 (0.62) PLOD2PLOD3PLOD1ALDH1A1APP
Hydrochloric Acid SCHEMBL2821363 0.87 PLOD2 (0.62) PLOD2PLOD3PLOD1ALDH1A1APP
Hydrochloric Acid SCHEMBL30113106 0.87 PLOD2 (0.62) PLOD2PLOD3PLOD1ALDH1A1APP
Urea SCHEMBL15552231 0.83 F7 (0.61) PLOD2PLOD3PLOD1ALDH1A1APP
Niacinamide SCHEMBL28262350 0.82 F7 (0.76) PLOD2PLOD3PLOD1ALDH1A1APP
Niacinamide SCHEMBL30011021 0.82 F7 (0.76) PLOD2PLOD3PLOD1ALDH1A1APP
Niacinamide SCHEMBL3714498 0.82 F7 (0.76) PLOD2PLOD3PLOD1ALDH1A1APP
Niacin SCHEMBL4718565 0.82 ALDH1A1 (0.78) PLOD2PLOD3PLOD1ALDH1A1APP

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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK PLOD2 1840/4885PLOD3 3461/4885PLOD1 2338/4885

“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.