SCHEMBL8837368

SCHEMBL8837368

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
SLC1A3 P43003 4/20 0.45
SLC1A2 P43004 4/20 0.45
ANPEP P15144 7/20 0.42
RNPEP Q9H4A4 4/20 0.42
DNPEP Q9ULA0 2/20 0.42
ELANE P08246 1/20 0.42
LARS1 Q9P2J5 1/20 0.40
LAP3 P28838 2/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A1 P43005 3/20 0.38
AAK1 Q2M2I8 1/20 0.38
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1C Q13936 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
SCHEMBL13895431 1.00 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL12214830 1.00 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL28866572 0.81 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13499200 0.81 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL23966934 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL8823909 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL28095787 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL24929107 0.80 SLC1A2 (0.37) SLC7A5SLC1A3SLC1A2ALDH1A1SLC1A1
SCHEMBL10297430 0.78 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10021630 0.78 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194415-A None JP disclosed
US-11406642-B2 DNP and DNP prodrug treatment of neuromuscular, neurodegenerative, autoimmune, developmental, traumatic brain injury, concussion, dry eye disease, hearing loss and/or metabolic diseases MITOCHON PHARMACEUTICALS, INC. (US) 2022-08-09 US disclosed
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 US disclosed
US-20200093831-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases MITOCHON PHARMACEUTICALS, INC. (US) 2020-03-26 US disclosed
WO-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 WO disclosed
US-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases MITOCHON PHARMACEUTICALS, INC. 2017-09-07 US disclosed
US-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 US disclosed
US-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-05-21 US disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 US disclosed
US-20070218010-A1 Contrast Agents for Magnetic Resonance Imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-09-20 US disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed
JP-H05194415-A COLLAGENASE INHIBITOR SANKYO CO LTD 1993-08-03 JP 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 (9 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-20200093831-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases SMN1; SMN2, MYLK2, WFS1 SLC7A5 2485/4885SLC1A3 816/4885SLC1A2 925/4885
US-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS TRMT1, RNGTT, NSUN3 SLC7A5 1990/4885SLC1A3 2295/4885SLC1A2 3159/4885
US-20070218010-A1 Contrast Agents for Magnetic Resonance Imaging MAG, SLC40A1, FABP7 SLC7A5 780/4885SLC1A3 283/4885SLC1A2 251/4885
US-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP SLC7A5 963/4885SLC1A3 275/4885SLC1A2 1789/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 SLC7A5 3599/4885SLC1A3 1563/4885SLC1A2 1746/4885
US-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases SMN1; SMN2, MYLK2, WFS1 SLC7A5 2485/4885SLC1A3 816/4885SLC1A2 925/4885
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG SLC7A5 2176/4885SLC1A3 3136/4885SLC1A2 2139/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 SLC7A5 2267/4885SLC1A3 1849/4885SLC1A2 2628/4885
US-11406642-B2 DNP and DNP prodrug treatment of neuromuscular, neurodegenerative, autoimmune, developmental, traumatic brain injury, concussion, dry eye disease, hearing loss and/or metabolic diseases SMN1; SMN2, MYLK2, WFS1 SLC7A5 2485/4885SLC1A3 816/4885SLC1A2 925/4885

“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.