Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2201962

Cc1ccc(N2CCN(C(=O)c3ccc(C(=O)C(F)(F)F)s3)CC2C)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.45
CYP2C9 P11712 3/20 0.45
MAPT P10636 6/20 0.44
GFER P55789 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 4/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC4 P56524 1/20 0.41
RUVBL2 Q9Y230 1/20 0.41
RUVBL1 Q9Y265 1/20 0.41
HDAC3 O15379 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMO Q99835 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4774811 0.97 HDAC6 (0.47) HDAC6CYP2C9MAPTGFERLMNA
Trifluoroacetic Acid SCHEMBL2202754 0.82 HDAC6 (0.47) HDAC6CYP2C9LMNATSHRHDAC1
SCHEMBL17707628 0.79 HDAC6 (0.50) HDAC6CYP2C9LMNATSHRHDAC1
Trifluoroacetic Acid SCHEMBL2202389 0.72 P2RX7 (0.53) HDAC6CYP2C9MAPK1HDAC1HDAC4
Trifluoroacetic Acid SCHEMBL4163494 0.72 L3MBTL3 (0.51) HDAC6CYP2C9MEN1KMT2AHDAC1
Trifluoroacetic Acid SCHEMBL2203749 0.72 L3MBTL1 (0.57) HDAC6CYP2C9MAPTLMNAMEN1
Trifluoroacetic Acid SCHEMBL2202581 0.71 HDAC6 (0.73) HDAC6CYP2C9MAPTTSHRMEN1
Trifluoroacetic Acid SCHEMBL4172898 0.71 L3MBTL3 (0.53) HDAC6CYP2C9HDAC1HDAC4HDAC3
SCHEMBL2200435 0.70 HDAC6 (0.59) HDAC6CYP2C9MAPTHDAC1HDAC4
Trifluoroacetic Acid SCHEMBL4156262 0.70 L3MBTL3 (0.52) HDAC6CYP2C9HDAC1HDAC4HDAC3

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
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 2067/4885MAPT 1028/4885

“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.