SCHEMBL3582837

SCHEMBL3582837

CCC(=O)C(C)C(N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 3/20 0.38
GRIK1 P39086 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK5 Q16478 1/20 0.36
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
LTA4H P09960 1/20 0.35
FFAR3 O14843 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34

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
SCHEMBL13502356 1.00 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL13502362 1.00 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL9737675 0.77 FFAR3 (0.40) SLC7A5FFAR3GABRR1
SCHEMBL4330500 0.76 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL2266575 0.76 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL9135178 0.76 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL2895827 0.76 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL83870 0.76 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL87358 0.76 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL7335221 0.76 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1USP2

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 11 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
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 SLC7A5 829/4885SLC1A3 559/4885SLC1A2 790/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 SLC7A5 121/4885SLC1A3 98/4885SLC1A2 101/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE SLC7A5 508/4885SLC1A3 831/4885SLC1A2 690/4885

“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.