SCHEMBL4071473

SCHEMBL4071473

CN(C)CCCN1CCSC1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
STAT3 P40763 1/20 0.34
HIF1A Q16665 1/20 0.34
RAD52 P43351 2/20 0.33
NR1I2 O75469 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL4974886 0.79 MEN1 (0.39) POLB
SCHEMBL11476710 0.79 ALDH1A1 (0.38) TERTNOS3NOS1HIF1ARAD52
SCHEMBL8775918 0.78 MGLL (0.43) HIF1APOLB
SCHEMBL4079827 0.76 KEAP1 (0.32)
SCHEMBL7609502 0.76 ALDH1A1 (0.32)
SCHEMBL11758314 0.71
SCHEMBL4974074 0.70
SCHEMBL120097 0.69 PIK3CD (0.47)
SCHEMBL15330853 0.68 INMT (0.34)
SCHEMBL6852074 0.68 PIK3CD (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073815-A1 PRODRUGS AND CONJUGATES OF THIOL- AND SELENOL- CONTAINING COMPOUNDS AND METHODS OF USE THEREOF University of Utah Research Foundation (US) 2009-07-01 EP disclosed
US-7425635-B2 Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-09-16 US disclosed
US-7425635-B2 Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-09-16 US disclosed
US-7425635-B2 Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-09-16 US disclosed
WO-2006076337-A1 PRODRUGS AND CONJUGATES OF THIOL- AND SELENOL- CONTAINING COMPOUNDS AND METHODS OF USE THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2006-07-20 WO disclosed
US-20050267172-A1 Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-01 US disclosed
US-6841536-B2 Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2005-01-11 US disclosed
EP-1493736-A1 Prodrugs and conjugates of selenol-containing compounds and methods of use thereof University of Utah Research Foundation (US) 2005-01-05 EP disclosed
US-20030225255-A1 Use in reducing unwanted side effects of chemo- or radiotherapy of cancer, improving cardiovascular function, preventing mutagenesis, preventing initiation or progression of cancer, reducing toxic consequences of radiation exposure NATIONAL INSTITUTES OF HEALTH--DIRECTOR DEITR 2003-12-04 US disclosed
EP-1003760-A4 PRODRUGS AND CONJUGATES OF THIOL- AND SELENOL- CONTAINING COMPOUNDS AND METHODS OF USE THEREOF UNIV UTAH (US) 2002-07-03 EP disclosed
US-6340746-B1 THIOLAMINE OR SELENOLAMINE CONJUGATE WITH ANTIOXIDANT VITAMIN; NONTOXIC UNIVERSITY OF UTAH 2002-01-22 US disclosed
EP-1003760-A1 PRODRUGS AND CONJUGATES OF THIOL- AND SELENOL- CONTAINING COMPOUNDS AND METHODS OF USE THEREOF THE UNIVERSITY OF UTAH (US) 2000-05-31 EP disclosed
WO-1999007719-A1 PRODRUGS AND CONJUGATES OF THIOL- AND SELENOL- CONTAINING COMPOUNDS AND METHODS OF USE THEREOF UNIVERSITY OF UTAH (US) 1999-02-18 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 (2 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-20030225255-A1 Use in reducing unwanted side effects of chemo- or radiotherapy of cancer, improving cardiovascular function, preventing mutagenesis, preventing initiation or progression of cancer, reducing toxic consequences of radiation exposure SCLY, DOHH, GSTO1 TERT 2181/4885NOS3 1182/4885NOS1 1150/4885
US-20050267172-A1 Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof SCLY, SELENOI, GSTO1 TERT 656/4885NOS3 2512/4885NOS1 3437/4885

“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.