Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2204740

O=C(O)C(F)(F)F.O=C(c1ccc(C(=O)C(F)(F)F)s1)N1C[C@H]2C[C@@H]1CN2Cc1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.44
HDAC1 Q13547 9/20 0.44
HDAC4 P56524 8/20 0.44
HDAC3 O15379 7/20 0.44
CNR2 P34972 1/20 0.42
LTA4H P09960 4/20 0.39
SPR P35270 1/20 0.39
CYP2C9 P11712 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL17707665 0.98 HDAC6 (0.46) HDAC6HDAC1HDAC4HDAC3CNR2
Trifluoroacetic Acid SCHEMBL2202774 0.93 CCR1 (0.40) HDAC6HDAC1HDAC4HDAC3CNR2
Trifluoroacetic Acid SCHEMBL4778412 0.93 CCR1 (0.40) HDAC6HDAC1HDAC4HDAC3CNR2
SCHEMBL17707642 0.89 CCR1 (0.41) HDAC6HDAC1HDAC4HDAC3CNR2
Trifluoroacetic Acid SCHEMBL17707573 0.88 HDAC6 (0.48) HDAC6HDAC1HDAC4HDAC3LTA4H
SCHEMBL17707571 0.85 HDAC6 (0.50) HDAC6HDAC1HDAC4HDAC3LTA4H
Trifluoroacetic Acid SCHEMBL2201508 0.85 HDAC6 (0.42) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL17707633 0.81 HDAC6 (0.44) HDAC6HDAC1HDAC4HDAC3CYP2C9
Trifluoroacetic Acid SCHEMBL2204116 0.80 HDAC6 (0.43) HDAC6HDAC1HDAC4HDAC3CYP2C9
Trifluoroacetic Acid SCHEMBL2202123 0.78 AKR1C3 (0.47) HDAC6HDAC1HDAC4HDAC3CYP2C9

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-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

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 HDAC6 6/4885HDAC1 1/4885HDAC4 4/4885

“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.