Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2201575

COc1cc(OC)nc(CN2CCN(C(=O)c3ccc(C(=O)C(F)(F)F)s3)CC2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.53
CYP2C9 P11712 3/20 0.53
HDAC1 Q13547 5/20 0.51
HDAC4 P56524 3/20 0.42
EPHX2 P34913 2/20 0.41
HDAC3 O15379 3/20 0.41
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 4/20 0.40
MAPK1 P28482 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 4/20 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
SCHEMBL17707635 0.97 HDAC6 (0.56) HDAC6CYP2C9HDAC1HDAC4EPHX2
Trifluoroacetic Acid SCHEMBL2203302 0.80 CYP2C9 (0.67) HDAC6CYP2C9HDAC1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2203425 0.80 KDM4E (0.56) HDAC6CYP2C9HDAC1EPHX2ALDH1A1
Trifluoroacetic Acid SCHEMBL17707583 0.79 HDAC6 (0.51) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2201578 0.78 HDAC6 (0.47) HDAC6CYP2C9HDAC1HDAC4EPHX2
Trifluoroacetic Acid SCHEMBL2204838 0.78 KDM4E (0.57) HDAC6CYP2C9HDAC1HDAC4ALDH1A1
Trifluoroacetic Acid SCHEMBL2203225 0.78 KMT2A (0.56) HDAC6CYP2C9HDAC1HDAC4EPHX2
SCHEMBL17707623 0.77 HDAC6 (0.52) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL17707610 0.77 HDAC6 (0.71) HDAC6CYP2C9HDAC1ALDH1A1KDM4E
SCHEMBL17707575 0.76 ALDH1A1 (0.58) HDAC6CYP2C9HDAC1EPHX2ALDH1A1

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 6/4885CYP2C9 2067/4885HDAC1 1/4885

“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.