SCHEMBL63304

SCHEMBL63304

O=C(O)CC(O)C=CCCS

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
SCHEMBL2065565 1.00 HDAC2 (0.63) HDAC2SLC22A6HDAC3HDAC1HDAC8
SCHEMBL2518292 1.00 HDAC2 (0.63) HDAC2SLC22A6HDAC3HDAC1HDAC8
SCHEMBL2065563 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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333697-B Synthesis method of romidepsin 深圳翰宇药业股份有限公司 2022-03-08 CN disclosed
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
EP-3131550-B1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY WITH A HISTONE DEACETYLASE INHIBITOR SIGNAL PHARM LLC (US) 2021-05-26 EP disclosed
EP-2802340-B1 ROMIDEPSIN FORMULATIONS AND USES THEREOF CELGENE CORP (US) 2020-10-28 EP disclosed
US-20200317693-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES ONKURE, INC. (US) 2020-10-08 US disclosed
CN-111333697-A Synthesis method of romidepsin 深圳翰宇药业股份有限公司 2020-06-26 CN disclosed
WO-2020125045-A1 METHOD FOR SYNTHESIZING ROMIDEPSIN 深圳翰宇药业股份有限公司 2020-06-25 WO 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
WO-2009105284-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-08-27 WO disclosed
US-20090209616-A1 PREPARATION OF ROMIDEPSIN CELGENE CORPORATION 2009-08-20 US disclosed
US-20090186382-A1 Preparation of Romidepsin CELGENE CORPORATION 2009-07-23 US disclosed
US-20090105200-A1 Combination therapy GLOUCESTER PHARMACEUTICALS 2009-04-23 US disclosed
WO-2009032352-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-03-12 WO disclosed
WO-2008127659-A2 COMBINATION THERAPY FOR CANCER UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2008-10-23 WO disclosed
WO-2008091620-A2 COMBINATION THERAPY COMPRISING ROMIDEPSIN AND I.A. BORTEZOMIB GLOUCESTER PHARMACEUTICALS, INC. (US) 2008-07-31 WO disclosed
WO-2008088331-A1 METHODS FOR INCREASING LEVELS OF HUMAN FETAL HEMOGLOBIN GLOUCESTER PHARMACEUTICALS (US) 2008-07-24 WO disclosed
WO-2008083288-A2 PURIFICTION OF ROMIDEPSIN GLOUCESTER PHARMACEUTICALS (US) 2008-07-10 WO disclosed
WO-2008083290-A1 ROMIDEPSIN-BASED TREATMENTS FOR CANCER GLOUCESTER PHARMACEUTICALS, INC. (US) 2008-07-10 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 (7 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-20090105200-A1 Combination therapy MCL1, BCL3, PSMB5 HDAC2 464/4885SLC22A6 3103/4885HDAC3 210/4885
US-20090209616-A1 PREPARATION OF ROMIDEPSIN PTMA, PDIA6, MLN HDAC2 3067/4885SLC22A6 1941/4885HDAC3 3026/4885
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-20220017538-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES HDAC11, HDAC1, HDAC10 HDAC2 7/4885SLC22A6 2563/4885HDAC3 4/4885
US-20200317693-A1 THIOESTER PRODRUGS OF MACROCYCLES AS INHIBITORS OF HISTONE DEACETYLASES HDAC11, HDAC1, HDAC10 HDAC2 7/4885SLC22A6 2563/4885HDAC3 4/4885
US-20090186382-A1 Preparation of Romidepsin PTMA, PDIA6, MLN HDAC2 3067/4885SLC22A6 1941/4885HDAC3 3026/4885

“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.