Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4165152

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NCCN1CCC(c2ccccc2)C1)c1cccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR5 P51681 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB6 P18564 1/20 0.36
GRIA1 P42261 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36

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
Trifluoroacetic Acid SCHEMBL4171437 0.81 SIGMAR1 (0.47) LMNA
SCHEMBL4174326 0.81 KMT2A (0.52) LMNAGAAKMT2AGRIA1HDAC3
SCHEMBL5125775 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1CCR5LMNAGAA
Trifluoroacetic Acid SCHEMBL4618886 0.78 POLB (0.38) LMNAKMT2ACCR2
Trifluoroacetic Acid SCHEMBL4165154 0.78 CCR5 (0.38) ALDH1A1L3MBTL1CCR5LMNAGAA
Trifluoroacetic Acid SCHEMBL4157968 0.77 PADI4 (0.49) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4159834 0.77 EPHX2 (0.43) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL4169482 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL4168691 0.77 CHRM2 (0.41) CCR2
Trifluoroacetic Acid SCHEMBL4166952 0.75 CCR2 (0.40) ALDH1A1CCR5LMNAGAAKMT2A

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 ALDH1A1 320/4885L3MBTL1 3032/4885CCR5 4312/4885

“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.