Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4154033

O=C(Cn1c(=O)oc2ccccc21)NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)NCc1cnc2ccccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 4/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CDYL2 Q8N8U2 2/20 0.36
CDYL Q9Y232 2/20 0.36
CDY1; CDY1B Q9Y6F8 2/20 0.36
CBX7 O95931 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33

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 SCHEMBL4166154 0.84 SIRT2 (0.38) SIRT2
SCHEMBL4151885 0.82 KMT2A (0.43) CYP1A2CYP2C19CYP3A4CYP2C9POLB
Trifluoroacetic Acid SCHEMBL4166172 0.82 SIRT2 (0.41) SIRT2
Trifluoroacetic Acid SCHEMBL4165163 0.82 SIRT2 (0.38) SIRT2
Trifluoroacetic Acid SCHEMBL4162623 0.81 SIRT2 (0.38) CYP1A2SIRT2
Trifluoroacetic Acid SCHEMBL4156590 0.79 SIRT2 (0.41) CYP1A2SIRT2
Trifluoroacetic Acid SCHEMBL4171443 0.77 CHRM1 (0.38) CYP1A2CYP2C19CYP3A4CYP2C9POLB
Trifluoroacetic Acid SCHEMBL4149911 0.77 SIRT2 (0.35) SIRT2
SCHEMBL4151722 0.77 SIRT2 (0.41) CYP1A2SIRT2
Trifluoroacetic Acid SCHEMBL4168647 0.75 LMNA (0.35) CYP1A2CYP2C19CYP3A4CYP2C9POLB

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 CYP1A2 2863/4885CYP2C19 2603/4885CYP3A4 3542/4885

“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.