Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4160882

O=C(NCc1cnn2ccccc12)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.57
HDAC1 Q13547 8/20 0.57
HDAC4 P56524 8/20 0.57
HDAC3 O15379 6/20 0.57
EPHX2 P34913 2/20 0.49
BACE1 P56817 2/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHB3 P54753 2/20 0.43
DGAT2 Q96PD7 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL4793267 0.74 HDAC6 (0.63) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL17707613 0.73 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3
SCHEMBL15886363 0.73 BACE1 (0.61) EPHX2BACE1KDM4EALDH1A1NPC1
SCHEMBL2204320 0.72 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC3EPHX2
Trifluoroacetic Acid SCHEMBL2203009 0.72 HDAC1 (0.71) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL2202013 0.72 HDAC1 (1.00) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL4160887 0.71 HDAC6 (0.53) HDAC6HDAC1HDAC4HDAC3EPHX2
SCHEMBL15883344 0.71 BACE1 (0.58) EPHX2BACE1KDM4EALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL2201672 0.70 HDAC1 (0.64) HDAC6HDAC1HDAC4HDAC3
Trifluoroacetic Acid SCHEMBL4178131 0.70 HDAC6 (0.55) HDAC6HDAC1HDAC4HDAC3DGAT2

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 3 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-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.