SCHEMBL3579690

SCHEMBL3579690

C[C@H](O)[C@@H](c1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HIF1A Q16665 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX5 P09917 1/20 0.46
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
DPP4 P27487 2/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42

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
SCHEMBL5988611 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL3574615 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL13502378 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL3580851 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL3576484 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL14420343 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL13502376 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL14420348 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL5907257 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E
SCHEMBL13502368 1.00 LMNA (0.48) LMNAHIF1AADRA2AADRA2CKDM4E

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 8 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
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-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 LMNA 770/4885HIF1A 1006/4885ADRA2A 3074/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 LMNA 964/4885HIF1A 514/4885ADRA2A 3039/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE LMNA 1108/4885HIF1A 1590/4885ADRA2A 3707/4885

“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.