SCHEMBL3580171

SCHEMBL3580171

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PTGS1 P23219 1/20 0.52
TP53 P04637 1/20 0.41
SLC7A5 Q01650 2/20 0.40
DPP4 P27487 1/20 0.35
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 1/20 0.32
KIF11 P52732 1/20 0.32
GRIK1 P39086 1/20 0.31
ENPEP Q07075 2/20 0.31
GABRP O00591 3/20 0.31
GABRD O14764 3/20 0.31
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31

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
SCHEMBL4961818 1.00 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL13502386 1.00 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL6672007 0.84 ALDH1A1 (0.62) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL20751905 0.82 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL12655751 0.82 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL1237085 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL1237086 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL31207017 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1TP53SLC7A5
SCHEMBL14702337 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1SLC7A5DPP4
SCHEMBL7396758 0.73 ALDH1A1 (0.62) ALDH1A1MAPTPTGS1TP53SLC7A5

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 9 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-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-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 ALDH1A1 600/4885MAPT 4044/4885PTGS1 775/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 ALDH1A1 615/4885MAPT 4338/4885PTGS1 854/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE ALDH1A1 300/4885MAPT 3954/4885PTGS1 1263/4885

“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.