SCHEMBL4169033

SCHEMBL4169033

N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.52
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP2 P08253 1/20 0.37
FAAH O00519 5/20 0.36
CES2 O00748 2/20 0.36
PLA2G6 O60733 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 4/20 0.36

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 SCHEMBL4304781 0.98 CES1 (0.50) CES1HDAC1HDAC2MMP2FAAH
Trifluoroacetic Acid SCHEMBL4160625 0.85 CES1 (0.38) CES1HDAC1HDAC2FAAHCES2
SCHEMBL4156445 0.82 CES1 (0.59) CES1HDAC1HDAC2MMP2FAAH
SCHEMBL4166891 0.80 CES1 (0.52) CES1HDAC1HDAC2CNR2
Trifluoroacetic Acid SCHEMBL4304780 0.78 CES1 (0.50) CES1HDAC1HDAC2CNR2
SCHEMBL9203776 0.77 MMP2 (0.54) MMP2CNR2
SCHEMBL9203767 0.77 MMP2 (0.54) MMP2CNR2
SCHEMBL4160861 0.76 CES1 (0.43) CES1HDAC1HDAC2FAAHCES2
SCHEMBL4171426 0.75 CES1 (0.44) CES1HDAC1HDAC2FAAHCES2
Trifluoroacetic Acid SCHEMBL4156726 0.75 CES1 (0.40) CES1HDAC1HDAC2

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 CES1 1925/4885HDAC1 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.