SCHEMBL3583656

SCHEMBL3583656

COC(=O)c1coc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.40
DAGLA Q9Y4D2 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
ATR Q13535 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP1A2 P05177 1/20 0.36
CACNA1G O43497 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.35
NAMPT P43490 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL3586130 0.88 KDM4A (0.40) KDM4AKDM4ELMNAHTTNPSR1
SCHEMBL2554277 0.87 HTT (0.49) KDM4ELMNAHTTNPSR1
SCHEMBL18078935 0.85 KDM4E (0.40) KDM4AKDM4ELMNAL3MBTL1HRH3
SCHEMBL21129147 0.83 HDAC1 (0.39) KDM4AKDM4ELMNAHTTNPSR1
SCHEMBL5013656 0.83 PCSK9 (0.46) DAGLASLC6A2SLC6A4SLC6A3HTT
SCHEMBL7945865 0.83 CNR2 (0.42) KDM4AKDM4ELMNAHTTL3MBTL1
SCHEMBL6468245 0.82 KDM4A (0.42) KDM4AKDM4ELMNAHTTNPSR1
SCHEMBL6603564 0.81 HDAC3 (0.46) KDM4AKDM4ELMNA
SCHEMBL10315062 0.81 KDM4A (0.39) KDM4AKDM4ELMNAHTTL3MBTL1
SCHEMBL19872891 0.81 KDM4A (0.34) KDM4AKDM4ELMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066399-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-07-20 US disclosed
US-20210139472-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-13 US disclosed
US-11001579-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-11 US disclosed
US-10738041-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2020-08-11 US disclosed
US-10676504-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-06-09 US disclosed
US-20190345151-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-11-14 US disclosed
US-10364239-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-07-30 US disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP 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-2017068089-A2 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO 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
WO-2008009942-A1 HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-01-24 WO disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
US-20060161007-A1 Oxazole and thiazole combinatorial libraries M MARTIN LENORE 2006-07-20 US disclosed
EP-1169311-A4 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2004-09-15 EP disclosed
EP-1169311-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2002-01-09 EP disclosed
WO-2000056724-A9 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2001-10-25 WO disclosed
WO-2000056724-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2000-09-28 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 (11 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-20190345151-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 KDM4A 4742/4885DAGLA 3083/4885SLC6A2 1420/4885
US-20100029731-A1 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885DAGLA 143/4885SLC6A2 4722/4885
US-20210139472-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 KDM4A 4742/4885DAGLA 3083/4885SLC6A2 1420/4885
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 KDM4A 4596/4885DAGLA 4172/4885SLC6A2 2731/4885
US-10738041-B2 Ferroportin inhibitors SLC40A1, HAMP, TFRC KDM4A 4847/4885DAGLA 4594/4885SLC6A2 923/4885
US-11066399-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 KDM4A 4786/4885DAGLA 3399/4885SLC6A2 1248/4885
US-10676504-B2 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885DAGLA 143/4885SLC6A2 4722/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 KDM4A 3763/4885DAGLA 4588/4885SLC6A2 4209/4885
US-11001579-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 KDM4A 4786/4885DAGLA 3399/4885SLC6A2 1248/4885
US-10364239-B2 Ferroportin inhibitors HAMP, SLC40A1, HMOX1 KDM4A 4757/4885DAGLA 3393/4885SLC6A2 1131/4885
US-20180044376-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885DAGLA 143/4885SLC6A2 4722/4885

“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.