SCHEMBL830950

SCHEMBL830950

C#CCOC(=O)[C@@H](N)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
THPO P40225 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8247061 0.86 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1NPC1CA12
SCHEMBL4675889 0.81
SCHEMBL27892463 0.81
SCHEMBL29794511 0.80 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1LMNAZDHHC20
SCHEMBL3441145 0.79
SCHEMBL10011426 0.76 NPC1 (0.42) SLC1A3SLC1A2SLC1A1NPC1CA12
SCHEMBL4676330 0.76
SCHEMBL2764994 0.74 ALOX15 (0.44) NPC1CYP2D6LMNA
SCHEMBL1338583 0.74 ALOX15 (0.44) NPC1CYP2D6LMNA
SCHEMBL1671835 0.74 ALOX15 (0.44) NPC1CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46129-E1 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-08-30 US disclosed
EP-1723122-B1 Dimeric small molecule potentiators of apoptosis UNIV TEXAS (US) 2014-11-19 EP disclosed
US-8143418-B2 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-03-27 US disclosed
US-20110124585-A1 Dimeric Small Molecule Potentiators of Apoptosis BOARD OF REGENTS 2011-05-26 US disclosed
US-7884211-B2 2-Methylamino-N-{2-(6-{1-methyl-2-(2-methylamino-propionylamino)-3-oxo-3-[2-(5-phenoxy-tetrazol-1-ylmethyl)-pyrrolidine-1-yl]-propoxy}-hexa-2,4-diynyloxy)-1-[2-(5-phenoxy-tetrazol-1-ylmethyl)-pyrrolidine-1-carbonyl]-propyl}-propionamide; mimetics of second mitochondria-derived activator of caspases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-02-08 US disclosed
US-7816538-B2 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-19 US disclosed
US-7638544-B2 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-12-29 US disclosed
US-20090312379-A1 Dimeric Small Molecule Potentiators of Apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 US disclosed
US-20090281155-A1 Dimeric Small Molecule Potentiators of Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-11-12 US disclosed
US-20080119532-A1 Dimeric Small Molecule Potentiators of Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2008-05-22 US disclosed
US-7309792-B2 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-12-18 US disclosed
EP-1723122-A2 DIMERIC SMALL MOLECULE POTENTIATORS OF APOPTOSIS Board of Regents, The University of Texas System (US) 2006-11-22 EP disclosed
WO-2005084317-A2 DIMERIC SMALL MOLECULE POTENTIATORS OF APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-09-15 WO disclosed
US-20050197403-A1 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 US 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-20090312379-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 SLC1A3 4823/4885SLC1A2 4708/4885SLC1A1 4828/4885
US-20090281155-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 SLC1A3 4823/4885SLC1A2 4708/4885SLC1A1 4828/4885
US-20110124585-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 SLC1A3 4823/4885SLC1A2 4708/4885SLC1A1 4828/4885
US-20080119532-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 SLC1A3 4828/4885SLC1A2 4734/4885SLC1A1 4830/4885
US-20050197403-A1 Dimeric small molecule potentiators of apoptosis BAD, BAX, CASP2 SLC1A3 4843/4885SLC1A2 4779/4885SLC1A1 4848/4885

“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.