SCHEMBL3035812

SCHEMBL3035812

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C=O)CCCCN)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FURIN P09958 3/20 0.52
PCSK6 P29122 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.43
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CTSK P43235 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
HPN P05981 1/20 0.37
HGFAC Q04756 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSL P07711 1/20 0.35

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
SCHEMBL29577402 1.00 FURIN (0.52) FURINPCSK6SMN1; SMN2SIRT6SIRT1
SCHEMBL9495059 0.92 FURIN (0.45) FURINPCSK6SIRT6SIRT1ALDH1A1
SCHEMBL9495080 0.92 FURIN (0.45) FURINPCSK6SIRT6SIRT1ALDH1A1
SCHEMBL29514837 0.87 SMN1; SMN2 (0.46) FURINPCSK6SMN1; SMN2SIRT6SIRT1
SCHEMBL11094153 0.84 SMN1; SMN2 (0.42) FURINPCSK6SMN1; SMN2
SCHEMBL26429404 0.83 FURIN (0.44) FURINPCSK6
SCHEMBL25519403 0.81 CTSK (0.43) FURINPCSK6SMN1; SMN2SIRT6SIRT1
SCHEMBL8387889 0.80 CTSK (0.57) ALDH1A1CTSKCTSL
SCHEMBL8695376 0.80 CTSK (0.57) ALDH1A1CTSKCTSL
SCHEMBL8972183 0.80 CTSK (0.57) ALDH1A1CTSKCTSL

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-3160590-B1 NUTRIENTS SOLUTIONS FOR ENHANCEMENT OF COGNITIVE FUNCTION MITOCHONDRIAL SUBSTRATE INVENTION LTD (GB) 2018-04-25 EP disclosed
US-20180028473-A1 NUTRIENTS SOLUTIONS Mitochondrial Substrate Invention Ltd. (GB) 2018-02-01 US disclosed
EP-3160590-A1 NUTRIENTS SOLUTIONS FOR ENHANCEMENT OF COGNITIVE FUNCTION Mitochondrial Substrate Invention Limited (GB) 2017-05-03 EP disclosed
WO-2016001643-A1 NUTRIENTS SOLUTIONS FOR ENHANCEMENT OF COGNITIVE FUNCTION Mitochondrial Substrate Invention Limited (GB) 2016-01-07 WO disclosed
US-20150374745-A1 NUTRIENTS SOLUTIONS FOR ENHANCEMENT OF COGNITIVE FUNCTION Mitochondrial Substrate Invention Limited (GB) 2015-12-31 US disclosed
US-20100216875-A1 METHODS OF TREATING ALZHEIMER'S DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-26 US disclosed
EP-2099476-A1 METHODS OF TREATING ALZHEIMER'S DISEASE HOOK, Gregory (US) 2009-09-16 EP disclosed
WO-2008077109-A1 METHODS OF TREATING ALZHEIMER'S DISEASE HOOK GREGORY (US) 2008-06-26 WO disclosed
WO-2004070009-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME INC. (US) 2004-08-19 WO disclosed
EP-1401818-A2 TARGETED MULTIVALENT MACROMOLECULES Targesome, Inc. (US) 2004-03-31 EP disclosed
US-20030133972-A1 Targeted multivalent macromolecules TARGESOME, INC. 2003-07-17 US disclosed
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity TARGESOME, INC. 2003-07-10 US disclosed
WO-2002096367-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME, INC. (US) 2002-12-05 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 (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-20150374745-A1 NUTRIENTS SOLUTIONS FOR ENHANCEMENT OF COGNITIVE FUNCTION CHAT, SLC18A3, SLC25A20 FURIN 3110/4885PCSK6 1565/4885SMN1; SMN2 412/4885
US-20030133972-A1 Targeted multivalent macromolecules CLTB, ILK, CD44 FURIN 1565/4885PCSK6 1363/4885SMN1; SMN2 2078/4885
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity CD47, TSG101, ILK FURIN 1511/4885PCSK6 1151/4885SMN1; SMN2 1098/4885
US-20100216875-A1 METHODS OF TREATING ALZHEIMER'S DISEASE CTSB, BACE2, BACE1 FURIN 138/4885PCSK6 158/4885SMN1; SMN2 3353/4885
US-20180028473-A1 NUTRIENTS SOLUTIONS SLC10A2, SLC5A6, SLC6A6 FURIN 2292/4885PCSK6 1284/4885SMN1; SMN2 585/4885

“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.