Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4171443

O=C(Cn1c(=O)oc2ccccc21)NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)NCCN1CCC(c2ccccc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CCR2 P41597 1/20 0.35
KMT2A Q03164 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
MEN1 O00255 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPY5R Q15761 1/20 0.34

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 SCHEMBL4618886 0.90 POLB (0.38) CHRM1CYP1A2CYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL4166952 0.85 CCR2 (0.40) CHRM1LMNAPOLBALDH1A1CCR2
Trifluoroacetic Acid SCHEMBL4168691 0.84 CHRM2 (0.41) CHRM1CCR2CHRM2CHRM4
Trifluoroacetic Acid SCHEMBL4171628 0.84 CCR2 (0.38) CHRM1LMNAALDH1A1CCR2KMT2A
Trifluoroacetic Acid SCHEMBL4171681 0.84 CCR2 (0.38) CHRM1CCR2CHRM2CHRM4
Trifluoroacetic Acid SCHEMBL4171821 0.81 CCR2 (0.38) CHRM1LMNAALDH1A1CCR2KMT2A
Trifluoroacetic Acid SCHEMBL4618890 0.79 ALDH1A1 (0.35) CHRM1CYP1A2CYP3A4CYP2C19ALDH1A1
Trifluoroacetic Acid SCHEMBL4622701 0.78 CHRM1 (0.46) CHRM1NPY5R
SCHEMBL4151885 0.78 KMT2A (0.43) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
Trifluoroacetic Acid SCHEMBL4154033 0.77 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19LMNA

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 CHRM1 4291/4885CYP1A2 2863/4885CYP3A4 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.