SCHEMBL4079827

SCHEMBL4079827

NCCCN1CCSC1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
INMT O95050 3/20 0.31
SIGMAR1 Q99720 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL24796261 0.88
SCHEMBL7609502 0.80 ALDH1A1 (0.32) INMT
SCHEMBL4974886 0.80 MEN1 (0.39) SMN1; SMN2INMT
SCHEMBL8775918 0.78 MGLL (0.43) SMN1; SMN2INMT
SCHEMBL11758314 0.75
SCHEMBL15330853 0.72 INMT (0.34) INMT
SCHEMBL9190064 0.72 KEAP1 (0.38) KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL31324973 0.72 KEAP1 (0.38) KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL3933880 0.70
SCHEMBL4974074 0.70

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 12 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
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 KEAP1 631/4885SMN1; SMN2 2179/4885INMT 1520/4885
US-20050267172-A1 Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof SCLY, SELENOI, GSTO1 KEAP1 428/4885SMN1; SMN2 2394/4885INMT 1607/4885

“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.