Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4151859

O=C(N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NCc1cnc2ccccc2c1)c1ccccc1-n1cnnn1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.42
F11 P03951 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLS O94925 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
HDAC1 Q13547 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 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
SCHEMBL5126720 0.80 MCHR1 (0.41) MCHR1ALDH1A1NPC1USP2CYP1A2
Trifluoroacetic Acid SCHEMBL4151861 0.79 NPC1 (0.33) ALDH1A1NPC1USP2CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL4163740 0.77 MCHR1 (0.41) MCHR1HDAC1
SCHEMBL4162548 0.77 NPC1 (0.43) F11ALDH1A1NPC1CYP1A2CYP2D6
SCHEMBL4151724 0.75 MCHR1 (0.41) MCHR1CYP1A2GLSHDAC1
Trifluoroacetic Acid SCHEMBL4156590 0.74 SIRT2 (0.41) MCHR1CYP1A2GLSHDAC1
Trifluoroacetic Acid SCHEMBL4166172 0.73 SIRT2 (0.41) MCHR1GLSHDAC1SCN9A
Trifluoroacetic Acid SCHEMBL4166154 0.72 SIRT2 (0.38) MCHR1HDAC1SCN9A
SCHEMBL4151722 0.72 SIRT2 (0.41) MCHR1CYP1A2GLSHDAC1
Trifluoroacetic Acid SCHEMBL4165163 0.71 SIRT2 (0.38) MCHR1GLSHDAC1SCN9A

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 MCHR1 3532/4885F11 2929/4885ALDH1A1 320/4885

“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.