SCHEMBL2956934

SCHEMBL2956934

CC(C)(C)OC(=O)NCc1cccc(C#N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
CTSS P25774 5/20 0.43
CTSK P43235 4/20 0.43
BCHE P06276 1/20 0.41
DYRK1A Q13627 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ADORA2A P29274 1/20 0.39
GLS O94925 1/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NQO2 P16083 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13217212 0.87 NQO2 (0.47) KDM4ANPSR1CTSSCTSKBCHE
SCHEMBL31721189 0.87 KDM4A (0.44) KDM4ANPSR1BCHEDYRK1ACA12
SCHEMBL31721309 0.85 KDM4A (0.43) KDM4ANPSR1BCHEDYRK1ACA12
SCHEMBL112919 0.81 NPSR1 (0.49) KDM4ANPSR1BCHECA12CA1
SCHEMBL26616825 0.81 NPSR1 (0.49) KDM4ANPSR1BCHECA12CA1
SCHEMBL9296950 0.80 NPSR1 (0.70) NPSR1CA12CA9ADORA2A
SCHEMBL2962806 0.80 ALDH1A1 (0.38) NPSR1CTSSCTSK
SCHEMBL1629274 0.80 NPSR1 (0.47) KDM4ANPSR1BCHECA12CA1
SCHEMBL29510880 0.80 NPSR1 (0.47) KDM4ANPSR1BCHECA12CA1
SCHEMBL13940974 0.80 NPSR1 (0.51) KDM4ANPSR1BCHECA12CA1

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 18 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-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
WO-2016144665-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-09-15 WO disclosed
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-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
WO-2010009334-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-01-21 WO disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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 (5 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 KDM4A 3144/4885NPSR1 1631/4885CTSS 3122/4885
US-10676504-B2 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885NPSR1 3135/4885CTSS 2063/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KDM4A 2746/4885NPSR1 4629/4885CTSS 3291/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 KDM4A 3144/4885NPSR1 1631/4885CTSS 3122/4885
US-20180044376-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN KDM4A 1717/4885NPSR1 3135/4885CTSS 2063/4885

“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.