SCHEMBL3586116

SCHEMBL3586116

NC(CC(O)C1CCCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRIK1 P39086 3/20 0.47
DPP7 Q9UHL4 1/20 0.46
GRIK2 Q13002 1/20 0.45
SLC7A5 Q01650 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 0.41
DPP4 P27487 1/20 0.40
SLC1A1 P43005 2/20 0.39
GRM2 Q14416 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38

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
SCHEMBL3579526 0.98 TP53 (0.47) TP53KDM4EGMNNLMNAMAPT
SCHEMBL10658936 0.82 GRIK1 (0.49) TP53LMNAMAPTSMN1; SMN2GRIK1
SCHEMBL7330707 0.81 TP53 (0.47) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28877064 0.79 SLC7A5 (0.50) GRIK1DPP7GRIK2SLC7A5ALDH1A1
SCHEMBL27620520 0.79 SLC7A5 (0.50) GRIK1DPP7GRIK2SLC7A5ALDH1A1
SCHEMBL27601911 0.78 SLC7A5 (0.48) GRIK1DPP7GRIK2SLC7A5ALDH1A1
SCHEMBL27620441 0.77 SLC7A5 (0.52) GRIK1DPP7GRIK2SLC7A5ALDH1A1
SCHEMBL10701343 0.77 ALDH1A1 (0.42) TP53KDM4EGMNNLMNAMAPT
SCHEMBL3620880 0.77 SLC1A2 (0.47) GRIK1DPP7GRIK2SLC7A5ALDH1A1
SCHEMBL27620471 0.76 SLC7A5 (0.50) GRIK1DPP7GRIK2SLC7A5ALDH1A1

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 3898/4885KDM4E 1114/4885GMNN 4018/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 TP53 2633/4885KDM4E 2684/4885GMNN 3132/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE TP53 2171/4885KDM4E 1056/4885GMNN 4368/4885

“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.