Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4156590

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 3/20 0.40
CES1 P23141 1/20 0.39
MCHR1 Q99705 1/20 0.38
TPH1 P17752 1/20 0.38
MMP1 P03956 1/20 0.36
FCER2 P06734 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
CYP1A2 P05177 1/20 0.35
PADI1 Q9ULC6 3/20 0.34
PADI4 Q9UM07 3/20 0.34
PADI2 Q9Y2J8 2/20 0.34
PADI3 Q9ULW8 2/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HDAC4 P56524 3/20 0.34
OPRK1 P41145 2/20 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
SCHEMBL4151722 0.97 SIRT2 (0.41) SIRT2HDAC1HDAC2CES1MCHR1
Trifluoroacetic Acid SCHEMBL4166172 0.88 SIRT2 (0.41) SIRT2HDAC1HDAC2CES1MCHR1
Trifluoroacetic Acid SCHEMBL4166154 0.87 SIRT2 (0.38) SIRT2HDAC1HDAC2CES1MCHR1
Trifluoroacetic Acid SCHEMBL4165163 0.85 SIRT2 (0.38) SIRT2HDAC1HDAC2CES1MCHR1
Trifluoroacetic Acid SCHEMBL4162623 0.84 SIRT2 (0.38) SIRT2HDAC1HDAC2CES1MCHR1
Trifluoroacetic Acid SCHEMBL4149911 0.83 SIRT2 (0.35) SIRT2HDAC1HDAC2CES1MCHR1
SCHEMBL4151724 0.81 MCHR1 (0.41) SIRT2HDAC1HDAC2CES1MCHR1
Trifluoroacetic Acid SCHEMBL4154033 0.79 CYP1A2 (0.39) SIRT2CYP1A2
Trifluoroacetic Acid SCHEMBL4163740 0.78 MCHR1 (0.41) HDAC1HDAC2CES1MCHR1FCER2
Trifluoroacetic Acid SCHEMBL4162613 0.77 MCHR1 (0.35) HDAC1HDAC2CES1MCHR1MMP1

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 SIRT2 127/4885HDAC1 2/4885HDAC2 7/4885

“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.