Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2074594

COc1cccc(-c2cnc([C@H](CCCCCC(C)=O)NC(=O)[C@H]3CCCN(C)C3)[nH]2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.75

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.75
HDAC3 O15379 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC8 Q9BY41 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL2071934 1.00 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC6HDAC8
Trifluoroacetic Acid SCHEMBL2072846 0.96 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL2073280 0.96 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC6
SCHEMBL15513399 0.95 HDAC1 (0.80) HDAC1HDAC3HDAC2HDAC6HDAC8
Trifluoroacetic Acid SCHEMBL2070333 0.93 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL2072775 0.92 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC6
SCHEMBL15513558 0.91 HDAC1 (0.80) HDAC1HDAC3HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL2071457 0.91 HDAC1 (0.91) HDAC1HDAC3HDAC2HDAC6HDAC8
Trifluoroacetic Acid SCHEMBL2074067 0.88 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC6
SCHEMBL15512874 0.87 HDAC1 (0.80) HDAC1HDAC3HDAC2HDAC6

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 4 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 claimed
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 1/4885HDAC3 7/4885HDAC2 10/4885

“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.