SCHEMBL3580126

SCHEMBL3580126

CCC(O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.54
ACE P12821 4/20 0.54
CPA1 P15085 4/20 0.54
ACE2 Q9BYF1 4/20 0.54
TRPA1 O75762 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48
CYP1A2 P05177 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL24084101 0.89 TRPA1 (0.49) MMEACECPA1ACE2TRPA1
SCHEMBL7379335 0.84 MME (0.70) MMEACECPA1ACE2L3MBTL1
SCHEMBL9068541 0.84 MME (0.70) MMEACECPA1ACE2L3MBTL1
SCHEMBL4087621 0.83 MME (0.54) MMEL3MBTL1NPSR1NAALAD2CYP1A2
SCHEMBL1938079 0.83 MME (0.61) MMEACECPA1ACE2
SCHEMBL995916 0.83 MME (0.56) MMEACECPA1ACE2L3MBTL1
SCHEMBL28782920 0.82 CSNK1E (0.52) MMEMMP2
SCHEMBL123574 0.81 MME (0.58) MMEACECPA1ACE2L3MBTL1
SCHEMBL15592756 0.81 MME (0.58) MMEACECPA1ACE2L3MBTL1
SCHEMBL2781126 0.81 MME (0.58) MMEACECPA1ACE2L3MBTL1

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 6 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-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-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 MME 2026/4885ACE 376/4885CPA1 842/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 MME 3197/4885ACE 1110/4885CPA1 966/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE MME 2323/4885ACE 1014/4885CPA1 588/4885

“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.