Largazole

Largazole

SCHEMBL7937167

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC3 O15379 16/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC6 Q9UBN7 9/20 1.00
NCOR2 Q9Y618 7/20 1.00
HDAC8 Q9BY41 7/20 1.00
HDAC10 Q969S8 7/20 1.00
HDAC4 P56524 6/20 1.00
HDAC9 Q9UKV0 2/20 1.00
UBA1 P22314 1/20 1.00
HDAC11 Q96DB2 2/20 0.79

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 SCHEMBL2611944 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL31485751 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL91139 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL23760411 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL71330 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL23760414 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL10314988 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL14973971 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
Largazole SCHEMBL2611945 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6NCOR2
SCHEMBL13453167 0.97 HDAC1 (0.94) HDAC1HDAC3HDAC2HDAC6NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057510-A1 Synthesis and Utility of New Capgroup Largazole Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-01 US disclosed
US-20180057510-A1 Synthesis and Utility of New Capgroup Largazole Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-01 US disclosed
US-20180044376-A1 Method for Preparing Largazole Analogs and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-15 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-8217076-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-07-10 US disclosed
US-20100029731-A1 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-04 US disclosed
WO-2010009334-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-01-21 WO 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 (3 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-20100029731-A1 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN HDAC1 355/4885HDAC3 114/4885HDAC2 362/4885
US-20180057510-A1 Synthesis and Utility of New Capgroup Largazole Analogs CYP51A1, CD38, ADPRS HDAC1 116/4885HDAC3 110/4885HDAC2 163/4885
US-20180044376-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN HDAC1 355/4885HDAC3 114/4885HDAC2 362/4885

“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.