SCHEMBL12651646

SCHEMBL12651646

CC(=O)SCC/C=C/C1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.86
HDAC3 O15379 18/20 0.86
HDAC2 Q92769 16/20 0.86
HDAC6 Q9UBN7 13/20 0.86
HDAC10 Q969S8 8/20 0.86
HDAC11 Q96DB2 3/20 0.86
HDAC8 Q9BY41 8/20 0.82
NCOR2 Q9Y618 8/20 0.82
HDAC4 P56524 3/20 0.82
UBA1 P22314 1/20 0.82
HDAC9 Q9UKV0 1/20 0.82

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
SCHEMBL8035633 1.00 HDAC1 (0.86) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL15827286 1.00 HDAC1 (0.86) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL71678 1.00 HDAC1 (0.86) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL71351 0.92 HDAC3 (0.90) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL16203381 0.92 HDAC3 (0.90) HDAC1HDAC3HDAC2HDAC6HDAC10
Largazole SCHEMBL23760411 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC10
Largazole SCHEMBL71330 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC10
Largazole SCHEMBL2611945 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC10
Largazole SCHEMBL91139 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC10
Largazole SCHEMBL23760414 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC10

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-20110123644-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-05-26 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-20110123644-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 9/4885

“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.