SCHEMBL6468245

SCHEMBL6468245

Cc1coc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BCHE P06276 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BRD4 O60885 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL2552253 0.86 HTT (0.52) KDM4ELMNAHTTNPSR1BCHE
SCHEMBL3798888 0.83 KDM4A (0.40) KDM4ACACNA1HCACNA1BCACNA1CCYP1A2
SCHEMBL3586130 0.83 KDM4A (0.40) KDM4ACACNA1HCACNA1BCACNA1CCYP1A2
SCHEMBL6464868 0.82 KDM4A (0.40) KDM4ACACNA1HCACNA1BCACNA1CCYP1A2
SCHEMBL3583656 0.82 KDM4A (0.40) KDM4ACACNA1HCACNA1BCACNA1CCYP1A2
SCHEMBL24387623 0.81 MAPKAPK2 (0.42) KDM4AKDM4ELMNAHTTNPSR1
SCHEMBL21129147 0.79 HDAC1 (0.39) KDM4AKDM4ELMNAHTTNPSR1
SCHEMBL18078935 0.78 KDM4E (0.40) KDM4AKDM4ELMNAL3MBTL1CA12
SCHEMBL10315062 0.77 KDM4A (0.39) KDM4AKDM4ELMNAHTTL3MBTL1
SCHEMBL3796522 0.77 CA1 (0.39) KDM4ACACNA1HCACNA1BCACNA1CCYP1A2

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-10676504-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-06-09 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-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-8513290-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-08-20 US disclosed
US-20120264794-A1 Method for Preparing Largazole Analogs and Uses Thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-10-18 US disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 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-10676504-B2 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885CACNA1H 4590/4885CACNA1B 4403/4885
US-20120264794-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885CACNA1H 4590/4885CACNA1B 4403/4885
US-20180044376-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885CACNA1H 4590/4885CACNA1B 4403/4885

“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.