SCHEMBL2065563

SCHEMBL2065563

O=C(O)C[C@H](O)/C=C/CCS

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.63
SLC22A6 Q4U2R8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 2/20 0.33
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
GABRR1 P24046 2/20 0.32
ACE P12821 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2702155 1.00 HDAC2 (0.63) HDAC2SLC22A6HDAC3HDAC1HDAC8
SCHEMBL63304 1.00 HDAC2 (0.63) HDAC2SLC22A6HDAC3HDAC1HDAC8
SCHEMBL2065565 1.00 HDAC2 (0.63) HDAC2SLC22A6HDAC3HDAC1HDAC8
SCHEMBL2518292 1.00 HDAC2 (0.63) HDAC2SLC22A6HDAC3HDAC1HDAC8
SCHEMBL15195508 0.86 HDAC2 (0.58) HDAC2SMN1; SMN2FOLH1LMNA
SCHEMBL10315742 0.86 HDAC2 (0.58) HDAC2SMN1; SMN2FOLH1LMNA
SCHEMBL7969584 0.82 HDAC2 (0.43) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL18618644 0.81 HDAC2 (0.44) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL12601342 0.79 HDAC2 (0.63) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL869683 0.79 HDAC2 (0.63) HDAC2SLC22A6HDAC3HDAC1HDAC8

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778350-B Method for synthesizing romidepsin 成都圣诺生物制药有限公司 2021-04-13 CN claimed
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
CN-107778350-B Method for synthesizing romidepsin 成都圣诺生物制药有限公司 2021-04-13 CN disclosed
US-20200317693-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES ONKURE, INC. (US) 2020-10-08 US disclosed
US-10676504-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-06-09 US disclosed
CN-111205350-A Macrocyclic thioester prodrugs as histone deacetylase inhibitors 恩库勒公司 2020-05-29 CN 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
WO-2017201278-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES ONKURE, INC. (US) 2017-11-23 WO disclosed
WO-2011150283-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASES THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2011-12-01 WO disclosed
US-8034768-B2 Composition and method for the treatment of diseases affected by histone deacetylase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-10-11 US disclosed
US-8034768-B2 Composition and method for the treatment of diseases affected by histone deacetylase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-10-11 US disclosed
US-20100261878-A1 SEQUENCES FOR FK228 BIOSYNTHESIS AND METHODS OF SYNTHESIZING FK228 AND FK228 ANALOGS UWM RESEARCH FOUNDATION, INC. (US) 2010-10-14 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-2009141658-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE KARUS THERAPEUTICS LIMITED (GB) 2009-11-26 WO disclosed
WO-2009002941-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY HISTONE DEACETYLASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-12-31 WO disclosed
US-20080318844-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY HISTONE DEACETYLASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-12-25 US disclosed
US-20080318844-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY HISTONE DEACETYLASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-12-25 US disclosed
WO-2008098199-A2 SEQUENCES FOR FK228 BIOSYNTNESIS AND METHODS OF SYNTHESIZING FK228 AND FK228 ANALOGS UWM RESEARCH FOUNDATION, INC. (US) 2008-08-14 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 (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-20100029731-A1 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN HDAC2 362/4885SLC22A6 4465/4885HDAC3 114/4885
US-11203602-B2 Thioester prodrugs of macrocycles as inhibitors of histone deacetylases HDAC11, HDAC1, HDAC10 HDAC2 7/4885SLC22A6 2563/4885HDAC3 4/4885
US-10676504-B2 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN HDAC2 362/4885SLC22A6 4465/4885HDAC3 114/4885
US-20180057510-A1 Synthesis and Utility of New Capgroup Largazole Analogs CYP51A1, CD38, ADPRS HDAC2 163/4885SLC22A6 3751/4885HDAC3 110/4885
US-20220017538-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES HDAC11, HDAC1, HDAC10 HDAC2 7/4885SLC22A6 2563/4885HDAC3 4/4885
US-20100261878-A1 SEQUENCES FOR FK228 BIOSYNTHESIS AND METHODS OF SYNTHESIZING FK228 AND FK228 ANALOGS PFAS, PNKP, TREH HDAC2 2042/4885SLC22A6 2957/4885HDAC3 919/4885
US-20200317693-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES HDAC11, HDAC1, HDAC10 HDAC2 7/4885SLC22A6 2563/4885HDAC3 4/4885
US-20080318844-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC11 HDAC2 10/4885SLC22A6 2284/4885HDAC3 7/4885
US-20180044376-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN HDAC2 362/4885SLC22A6 4465/4885HDAC3 114/4885

“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.