Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2201672

O=C(NCc1cnc2ccccc2c1)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.64
HDAC6 Q9UBN7 12/20 0.64
HDAC3 O15379 10/20 0.64
HDAC4 P56524 9/20 0.64
ATG4B Q9Y4P1 1/20 0.46
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GLS O94925 1/20 0.41
TACR1 P25103 1/20 0.40
HDAC2 Q92769 1/20 0.40
TPH1 P17752 1/20 0.39

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
SCHEMBL17707618 0.97 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC4ATG4B
SCHEMBL17707613 0.79 HDAC6 (1.00) HDAC1HDAC6HDAC3HDAC4CYP2C9
Trifluoroacetic Acid SCHEMBL2203009 0.77 HDAC1 (0.71) HDAC1HDAC6HDAC3HDAC4
SCHEMBL2201215 0.75 HDAC1 (0.85) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL2290270 0.74 HDAC6 (0.79) HDAC1HDAC6HDAC3HDAC4
SCHEMBL2229698 0.73 HDAC1 (0.72) HDAC1HDAC6HDAC3HDAC4
SCHEMBL2229213 0.73 HDAC6 (0.70) HDAC1HDAC6HDAC3HDAC4CYP2C9
SCHEMBL4917876 0.72 ALDH1A1 (0.49) ATG4BCYP2C9GLSTACR1
Trifluoroacetic Acid SCHEMBL2850398 0.72 RHOA (0.48) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL2203242 0.72 HDAC1 (0.79) HDAC1HDAC6HDAC3HDAC4

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 HDAC1 1/4885HDAC6 6/4885HDAC3 9/4885

“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.