Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2201899

O=C(NCC1CN(c2ccccc2)CCO1)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.50
HDAC1 Q13547 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC4 P56524 4/20 0.49
HDAC3 O15379 3/20 0.49
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PPARA Q07869 1/20 0.43
F2 P00734 2/20 0.43
TRPA1 O75762 1/20 0.41

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
SCHEMBL17707638 0.98 F10 (0.52) F10HDAC1HDAC6HDAC4HDAC3
Trifluoroacetic Acid SCHEMBL2202392 0.86 HDAC1 (0.52) F10HDAC1HDAC6HDAC4HDAC3
SCHEMBL17707604 0.83 HDAC1 (0.54) F10HDAC1HDAC6HDAC4HDAC3
SCHEMBL2204276 0.77 HDAC4 (0.66) HDAC1HDAC6HDAC4HDAC3
SCHEMBL12851338 0.75 KCNA5 (0.51) HDAC6PPARATRPA1
Trifluoroacetic Acid SCHEMBL2206269 0.74 HDAC6 (0.48) HDAC1HDAC6HDAC4HDAC3
Trifluoroacetic Acid SCHEMBL4777346 0.72 L3MBTL1 (0.53) HDAC6
SCHEMBL17707577 0.71 HDAC6 (0.50) HDAC1HDAC6HDAC4HDAC3
SCHEMBL15719387 0.71 TRPA1 (0.60) HDAC6TRPA1
SCHEMBL2201904 0.71 HDAC6 (0.45) F10HDAC1HDAC6HDAC4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 F10 3460/4885HDAC1 1/4885HDAC6 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.