SCHEMBL3579526

SCHEMBL3579526

NC(CC(O)C1CCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC7A5 Q01650 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
SLC1A1 P43005 3/20 0.41
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
GRIN2D O15399 4/20 0.39
GRIN3B O60391 4/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
GRIN2B Q13224 4/20 0.39

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
SCHEMBL3586116 0.98 TP53 (0.50) TP53GRIK1GRIK2KDM4EGMNN
SCHEMBL10658936 0.80 GRIK1 (0.49) TP53GRIK1GRIK2LMNAMAPT
SCHEMBL7330707 0.79 TP53 (0.47) TP53KDM4EGMNNLMNAMAPT
SCHEMBL27620441 0.78 SLC7A5 (0.52) GRIK1GRIK2SLC7A5DPP7SLC1A1
SCHEMBL28877064 0.77 SLC7A5 (0.50) GRIK1GRIK2SLC7A5DPP7SLC1A1
SCHEMBL27620520 0.77 SLC7A5 (0.50) GRIK1GRIK2SLC7A5DPP7SLC1A1
SCHEMBL27620471 0.77 SLC7A5 (0.50) GRIK1GRIK2SLC7A5DPP7SLC1A1
SCHEMBL27601911 0.76 SLC7A5 (0.48) GRIK1GRIK2SLC7A5DPP7SLC1A1
SCHEMBL27601858 0.76 SLC7A5 (0.48) GRIK1GRIK2SLC7A5DPP7SLC1A1
SCHEMBL10701343 0.74 ALDH1A1 (0.42) TP53GRIK1KDM4EGMNNLMNA

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
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
CN-101252926-A Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INNODIA INC (CA) 2008-08-27 CN disclosed
CN-101193852-A 4-Hydroxyisoleucine analogs and uses thereof INNODIA INC (CA) 2008-06-04 CN disclosed
EP-1874287-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES Innodia Inc. (CA) 2008-01-09 EP disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 EP disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
WO-2006131836-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES INNODIA INC. (US) 2006-12-14 WO disclosed
WO-2006120574-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF INNODIA INC. (CA) 2006-11-16 WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 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 (3 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-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC TP53 3898/4885GRIK1 807/4885GRIK2 1431/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 TP53 2633/4885GRIK1 798/4885GRIK2 1413/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE TP53 2171/4885GRIK1 2227/4885GRIK2 2519/4885

“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.