Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4169498

O=C(Cc1ccsc1)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)Nc1cccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.39
MEF2D Q14814 3/20 0.39
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC3 O15379 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
MMP2 P08253 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
FPR2 P25090 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
SCHEMBL4166185 0.83 NPC1 (0.42) HDAC4MEF2DALDH1A1LMNA
SCHEMBL4606348 0.83 POLB (0.39) HDAC1HDAC2L3MBTL1
Trifluoroacetic Acid SCHEMBL4160622 0.81 PADI4 (0.39) HDAC1HDAC2
SCHEMBL4605724 0.79 CES1 (0.46) HDAC1HDAC2CTSL
SCHEMBL4174445 0.78 HDAC1 (0.42) HDAC4HDAC1HDAC2HDAC3HDAC7
Trifluoroacetic Acid SCHEMBL4163740 0.78 MCHR1 (0.41) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4174440 0.77 SHMT1 (0.41) HDAC1HDAC2ALDH1A1LMNA
SCHEMBL5125080 0.76 HDAC4 (0.48) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL4174424 0.76 SIGMAR1 (0.38) HDAC4HDAC1HDAC2HDAC6L3MBTL1
Trifluoroacetic Acid SCHEMBL4620633 0.76 CCR2 (0.40) HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 HDAC4 4/4885MEF2D 1813/4885HDAC1 2/4885

“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.