Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4156514

CN1CCC(C(=O)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CCR3 P51677 1/20 0.35
KLKB1 P03952 2/20 0.35
PLG P00747 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ACE P12821 3/20 0.34
HSP90AB1 P08238 1/20 0.33
EPHX2 P34913 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 SCHEMBL4166937 0.80 FABP4 (0.36) SMN1; SMN2KMT2AMEN1HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL4154002 0.79 CYP2C19 (0.48) SMN1; SMN2KMT2AACE
SCHEMBL5121047 0.77 HDAC1 (0.52) SMN1; SMN2HDAC1HDAC3HDAC2HDAC6
SCHEMBL4605614 0.76 CES1 (0.45) KMT2AMEN1HDAC1HDAC3HDAC2
Trifluoroacetic Acid SCHEMBL4156516 0.74 CES1 (0.31)
SCHEMBL4166940 0.74 ALDH1A1 (0.34) KMT2AMEN1HDAC1HDAC2
SCHEMBL4164039 0.74 HDAC1 (0.41) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL3507605 0.73 GPR139 (0.42) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL4156708 0.72 CCKBR (0.34) KMT2AMEN1HDAC1HDAC3HDAC2
SCHEMBL4606348 0.71 POLB (0.39) KMT2AMEN1HDAC1HDAC2

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 SMN1; SMN2 1280/4885CCR3 4651/4885KLKB1 4383/4885

“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.