Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4444757

CN1CCC(C(=O)NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)NCCc2cnc3ccccc3c2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.37
CAPN1 P07384 1/20 0.36
OPRK1 P41145 5/20 0.36
FAAH O00519 2/20 0.35
RXFP1 Q9HBX9 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
TP53 P04637 1/20 0.34
ACKR3 P25106 1/20 0.33
CES1 P23141 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 SCHEMBL4171821 0.80 CCR2 (0.38)
Trifluoroacetic Acid SCHEMBL4166172 0.79 SIRT2 (0.41) HDAC1OPRK1FAAHCES1
Trifluoroacetic Acid SCHEMBL4166154 0.76 SIRT2 (0.38) HDAC1OPRK1FAAHCES1
Trifluoroacetic Acid SCHEMBL4165163 0.76 SIRT2 (0.38) HDAC1OPRK1CES1
Trifluoroacetic Acid SCHEMBL4150080 0.75 CES1 (0.43) HDAC1CES1
Trifluoroacetic Acid SCHEMBL4162623 0.75 SIRT2 (0.38) HDAC1OPRK1CES1
Trifluoroacetic Acid SCHEMBL4156590 0.74 SIRT2 (0.41) HDAC1OPRK1CES1
Trifluoroacetic Acid SCHEMBL4149911 0.73 SIRT2 (0.35) HDAC1OPRK1CES1
Trifluoroacetic Acid SCHEMBL4154033 0.72 CYP1A2 (0.39) TP53
SCHEMBL4163608 0.71 CES1 (0.54) HDAC1FAAHCES1

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 HDAC1 2/4885CAPN1 1797/4885OPRK1 3086/4885

“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.