SCHEMBL16203382

SCHEMBL16203382

CC(C)CC/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 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 20/20 0.86
▸ HDAC1 Q13547 19/20 0.86
▸ HDAC2 Q92769 19/20 0.86
▸ HDAC6 Q9UBN7 15/20 0.86
▸ HDAC8 Q9BY41 12/20 0.86
▸ NCOR2 Q9Y618 9/20 0.86
▸ HDAC10 Q969S8 7/20 0.86
▸ HDAC11 Q96DB2 3/20 0.86
▸ UBA1 P22314 1/20 0.73
▸ HDAC4 P56524 1/20 0.73
▸ HDAC9 Q9UKV0 1/20 0.73
▸ HDAC7 Q8WUI4 1/20 0.66

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
SCHEMBL12610998 1.00 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL10315069 0.94 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12651856 0.93 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12611184 0.93 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL17305526 0.93 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL15827016 0.93 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL21586611 0.93 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL22810153 0.93 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL7994520 0.93 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL72077 0.93 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9492434-B2 Combination compositions and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-11-15 — — US disclosed
US-20150210718-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIV FLORIDA (US) 2015-07-30 — — US disclosed
US-20140323450-A1 COMBINATION COMPOSITIONS AND METHODS OF TREATMENT University of Florida Research Founation (US) 2014-10-30 — — 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 (2 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-20140323450-A1 COMBINATION COMPOSITIONS AND METHODS OF TREATMENT NFATC1, MCL1, CKMT1A; CKMT1B HDAC3 97/4885HDAC1 120/4885HDAC2 529/4885
US-20150210718-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 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.

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