SCHEMBL4158976

SCHEMBL4158976

CC(=O)c1cccc(NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)NC(=O)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.53
HDAC1 Q13547 7/20 0.53
HDAC3 O15379 6/20 0.53
HDAC7 Q8WUI4 6/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC10 Q969S8 6/20 0.53
HDAC11 Q96DB2 6/20 0.53
HDAC8 Q9BY41 6/20 0.53
HDAC6 Q9UBN7 6/20 0.53
HDAC9 Q9UKV0 6/20 0.53
HDAC5 Q9UQL6 6/20 0.53
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MEF2D Q14814 1/20 0.43
PKM P14618 1/20 0.41

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
SCHEMBL4159149 0.87 ALDH1A1 (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4159631 0.87 HDAC4 (0.47) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4165005 0.86 ALDH1A1 (0.41) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4174395 0.86 ALDH1A1 (0.48) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4162559 0.84 ALDH1A1 (0.41) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4160412 0.82 HTT (0.46) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4168844 0.82 PLOD2 (0.46) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL3507991 0.82 ALDH1A1 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL4164026 0.82 ALDH1A1 (0.54) HDAC4ALDH1A1TSHRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4157968 0.79 PADI4 (0.49) HDAC4HDAC1HDAC3HDAC7HDAC2

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 HDAC4 4/4885HDAC1 2/4885HDAC3 11/4885

“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.