Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2074779

N[C@@H](CCCCCC(=O)O)c1nnc(-c2ccc3ccccc3c2)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.44
TBXAS1 P24557 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR4 O95977 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR1 P21453 2/20 0.36
CYP1A2 P05177 1/20 0.36
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2074784 0.86 HDAC1 (0.35) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL2074056 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL2070809 0.79 TBXAS1 (0.40) HDAC1TBXAS1HDAC6CCNCCDK8
SCHEMBL15513441 0.77 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL2070689 0.77 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL2073929 0.77 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4409811 0.75 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL5277760 0.74 HDAC1 (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL2071133 0.74 HDAC1 (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL2071700 0.74 S1PR1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885TBXAS1 1197/4885HDAC3 7/4885

“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.