Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2201508

COc1ccccc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.42
HDAC1 Q13547 5/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
TSHR P16473 5/20 0.36
USP2 O75604 3/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL17707633 0.97 HDAC6 (0.44) HDAC6HDAC1CYP2C9SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL2204740 0.85 HDAC6 (0.44) HDAC6HDAC1CYP2C9HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL17707573 0.84 HDAC6 (0.48) HDAC6HDAC1CYP2C9HDAC3HDAC4
SCHEMBL17707665 0.83 HDAC6 (0.46) HDAC6HDAC1CYP2C9HDAC3HDAC4
SCHEMBL17707571 0.81 HDAC6 (0.50) HDAC6HDAC1CYP2C9HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL2202774 0.80 CCR1 (0.40) HDAC6HDAC1CYP2C9HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL4778412 0.80 CCR1 (0.40) HDAC6HDAC1CYP2C9HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL2203425 0.78 KDM4E (0.56) HDAC6HDAC1CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL17707642 0.77 CCR1 (0.41) HDAC6HDAC1CYP2C9KMT2AHDAC3
Trifluoroacetic Acid SCHEMBL2204116 0.76 HDAC6 (0.43) HDAC6HDAC1CYP2C9HDAC3HDAC4

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 1/4885CYP2C9 2067/4885

“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.