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.

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