Largazole Thiol

Largazole Thiol

SCHEMBL72077

CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 1.00
HDAC1 Q13547 19/20 1.00
HDAC2 Q92769 19/20 1.00
HDAC6 Q9UBN7 13/20 1.00
HDAC8 Q9BY41 12/20 1.00
NCOR2 Q9Y618 9/20 1.00
HDAC10 Q969S8 6/20 1.00
HDAC11 Q96DB2 2/20 1.00
HDAC7 Q8WUI4 1/20 0.77
UBA1 P22314 1/20 0.73
HDAC4 P56524 1/20 0.73
HDAC9 Q9UKV0 1/20 0.73

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
Largazole Thiol SCHEMBL15195503 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL7994520 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL31267135 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL8040245 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
Largazole Thiol SCHEMBL15827016 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL15195510 0.95 HDAC3 (0.90) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL17263837 0.95 HDAC3 (0.90) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL13453227 0.95 HDAC3 (0.90) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12651856 0.93 HDAC3 (0.88) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL12611184 0.93 HDAC3 (0.88) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017538-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES ONKURE, INC. (US) 2022-01-20 US disclosed
US-11203602-B2 Thioester prodrugs of macrocycles as inhibitors of histone deacetylases ONKURE, INC. (US) 2021-12-21 US disclosed
US-20200317693-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES ONKURE, INC. (US) 2020-10-08 US disclosed
US-20190290621-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-1 LATENCY WASHINGTON UNIVERSITY 2019-09-26 US disclosed
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors WASHINGTON UNIVERSITY (US) 2019-09-24 US disclosed
WO-2018089592-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-1 LATENCY WASHINGTON UNIVERSITY (US) 2018-05-17 WO disclosed
WO-2017201278-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES ONKURE, INC. (US) 2017-11-23 WO disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
US-20170035759-A1 TREATMENT OF PARASITIC DISEASES USING KDAC INHIBITOR COMPOUNDS WASHINGTON UNIVERSITY (US) 2017-02-09 US disclosed
US-20170035759-A1 TREATMENT OF PARASITIC DISEASES USING KDAC INHIBITOR COMPOUNDS WASHINGTON UNIVERSITY (US) 2017-02-09 US disclosed
US-9186402-B2 Method for preparing largazole analogs and uses thereof Colorado State University Research University (US) 2015-11-17 US disclosed
US-20150210718-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIV FLORIDA (US) 2015-07-30 US disclosed
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 US disclosed
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 US disclosed
US-8513290-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-08-20 US disclosed
WO-2013086344-A1 COMBINATION COMPOSITIONS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-06-13 WO disclosed
US-8129418-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-03-06 US disclosed
US-8129418-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-03-06 US disclosed
US-20110123644-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-05-26 US disclosed
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-04-21 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 (9 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-20170035759-A1 TREATMENT OF PARASITIC DISEASES USING KDAC INHIBITOR COMPOUNDS HSP90B1, TBCA, RPL17 HDAC3 542/4885HDAC1 443/4885HDAC2 1513/4885
US-11203602-B2 Thioester prodrugs of macrocycles as inhibitors of histone deacetylases HDAC11, HDAC1, HDAC10 HDAC3 4/4885HDAC1 2/4885HDAC2 7/4885
US-20190290621-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-1 LATENCY HDAC1, HDAC7, HDAC11 HDAC3 5/4885HDAC1 1/4885HDAC2 11/4885
US-20220017538-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES HDAC11, HDAC1, HDAC10 HDAC3 4/4885HDAC1 2/4885HDAC2 7/4885
US-20200317693-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES HDAC11, HDAC1, HDAC10 HDAC3 4/4885HDAC1 2/4885HDAC2 7/4885
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS MKI67, CCNC, PCNA HDAC3 713/4885HDAC1 548/4885HDAC2 1632/4885
US-20150210718-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 9/4885
US-20110123644-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 9/4885
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors DOT1L, KDM1A, HDAC1 HDAC3 36/4885HDAC1 3/4885HDAC2 37/4885

“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.