SCHEMBL4164042

SCHEMBL4164042

NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)N(C(=O)CCCC(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4154197 0.87 HDAC1 (0.37) CES1HDAC1HDAC2L3MBTL1LMNA
SCHEMBL4171428 0.86 CES1 (0.44) CES1HDAC1HDAC2
SCHEMBL3507608 0.85 CES1 (0.36) CES1HDAC1HDAC2MEN1KMT2A
SCHEMBL4173034 0.79 CES1 (0.33) CES1HDAC1HDAC2POLB
SCHEMBL4158958 0.77 CYP1A2 (0.41) MEN1POLBKMT2A
Trifluoroacetic Acid SCHEMBL4159827 0.74 BCHE (0.42) CES1MEN1KMT2A
SCHEMBL4164039 0.74 HDAC1 (0.41) CES1HDAC1HDAC2MEN1POLB
SCHEMBL4165147 0.73 CES1 (0.43) CES1HDAC1HDAC2LMNA
Trifluoroacetic Acid SCHEMBL4156516 0.73 CES1 (0.31) CES1
SCHEMBL4160414 0.72 CES1 (0.35) CES1HDAC1HDAC2POLBKMT2A

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.