SCHEMBL3581364

SCHEMBL3581364

NC(CC(O)c1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.70
GRM2 Q14416 2/20 0.62
GRM3 Q14832 2/20 0.62
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
SLC1A3 P43003 1/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
BCAT2 O15382 1/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
GRIK1 P39086 1/20 0.47
AOC3 Q16853 3/20 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
SCHEMBL9065025 1.00 KYNU (0.70) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL9064883 1.00 KYNU (0.70) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL9065063 1.00 KYNU (0.70) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL5282418 0.83 GRM2 (0.79) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL23265574 0.83 KYNU (0.55) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL617705 0.83 KYNU (1.00) KYNUGRM2GRM3LMNA
SCHEMBL5286288 0.80 GRM2 (0.62) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL6448129 0.80 GRM2 (0.62) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL27564208 0.79 LMNA (0.52) KYNUBCAT2LMNAMAPK1AOC3
SCHEMBL27564209 0.79 LMNA (0.52) KYNUBCAT2LMNAMAPK1AOC3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581907-A4 1994-04-06 EP claimed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP claimed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO claimed
CN-115784916-A Method for preparing 2- (S) -amino-4-aryl butyric acid compound 杭州励德生物科技有限公司 2023-03-14 CN 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
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
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 US disclosed
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US disclosed
US-5495044-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-02-27 US disclosed
US-5442104-A Neurological disorders UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-08-15 US disclosed
WO-1995011878-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-05-04 WO disclosed
EP-0581907-A4 1994-04-06 EP disclosed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP disclosed
US-5254725-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-10-19 US disclosed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO 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 (2 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-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 KYNU 770/4885GRM2 776/4885GRM3 1784/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE KYNU 192/4885GRM2 1702/4885GRM3 1973/4885

“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.