SCHEMBL7948567

SCHEMBL7948567

COC(=O)[C@](C)(CO)NC(=O)c1coc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GRM2 Q14416 1/20 0.33
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
DYRK1A Q13627 1/20 0.32
KLKB1 P03952 1/20 0.32
CYP1A2 P05177 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
CNR2 P34972 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL19872891 1.00 KDM4A (0.34) KDM4AL3MBTL1HRH3GRM2NAMPT
SCHEMBL7945865 0.89 CNR2 (0.42) KDM4AL3MBTL1HRH3NAMPTKDM4E
SCHEMBL10315062 0.87 KDM4A (0.39) KDM4AL3MBTL1GRM2NAMPTKDM4E
SCHEMBL18078950 0.85 HRH3 (0.35) HRH3KLKB1CNR2HDAC1HDAC6
SCHEMBL18078935 0.81 KDM4E (0.40) KDM4AL3MBTL1HRH3NAMPTKDM4E
SCHEMBL3583656 0.81 KDM4A (0.40) KDM4AL3MBTL1HRH3GRM2NAMPT
SCHEMBL21129147 0.80 HDAC1 (0.39) KDM4AL3MBTL1NAMPTKDM4ELMNA
SCHEMBL3586130 0.80 KDM4A (0.40) KDM4AL3MBTL1GRM2NAMPTKDM4E
SCHEMBL3798888 0.74 KDM4A (0.40) KDM4AL3MBTL1GRM2NAMPTKDM4E
SCHEMBL6468245 0.74 KDM4A (0.42) KDM4AL3MBTL1NAMPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144665-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-09-15 WO disclosed
US-9186402-B2 Method for preparing largazole analogs and uses thereof Colorado State University Research University (US) 2015-11-17 US disclosed
US-8513290-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-08-20 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 (1 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 KDM4A 1717/4885L3MBTL1 1795/4885HRH3 3819/4885

“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.