Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3971320

FC(F)(F)c1ncc2c(n1)CNC2.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.35
HTR2C P28335 1/20 0.32
ITGAV P06756 1/20 0.30
ITGB6 P18564 1/20 0.30
ITGB8 P26012 1/20 0.30

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
SCHEMBL1528568 0.89 HTR2C (0.34) HDAC9HTR2C
Trifluoroacetic Acid SCHEMBL30333126 0.79 MEN1 (0.41)
Trifluoroacetic Acid SCHEMBL28417685 0.78 CA12 (0.32)
Trifluoroacetic Acid SCHEMBL28414896 0.78 MAPT (0.35)
Trifluoroacetic Acid SCHEMBL28418637 0.76
SCHEMBL1620576 0.75 HTR2C (0.51) HTR2C
SCHEMBL3639116 0.75 POLB (0.48) HTR2C
Trifluoroacetic Acid SCHEMBL28418879 0.75 PNMT (0.30)
Hydrochloric Acid SCHEMBL3132492 0.74 HTR2C (0.50) HTR2C
Trifluoroacetic Acid SCHEMBL28417017 0.73 ALDH1A1 (0.32)

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
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-101119968-B Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
CN-101119968-A Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (2 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 HDAC9 2504/4885HTR2C 235/4885ITGAV 3397/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 HDAC9 2504/4885HTR2C 235/4885ITGAV 3397/4885

“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.