SCHEMBL787839

SCHEMBL787839

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.50
DDAH1 O94760 2/20 0.43
GSR P00390 2/20 0.43
NOS2 P35228 3/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
PTGS1 P23219 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
CYP1A2 P05177 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41

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
SCHEMBL25216092 1.00 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL9974075 0.87 OTC (0.48) OTCDDAH1GSRNOS2NOS3
SCHEMBL13059111 0.85 OTC (0.51) OTCDDAH1GSRNOS2NOS3
SCHEMBL1004634 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL21089975 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL3508097 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL24451312 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL8730134 0.83 NOD1 (0.52) OTCDDAH1GSRNOS2NOS3
SCHEMBL12028765 0.83 OTC (0.50) OTCDDAH1GSRNOS2NOS3
SCHEMBL18532015 0.83 OTC (0.53) OTCDDAH1GSRNOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12044684-B2 Methods for diagnosing an autistic spectrum disorder QATAR UNIVERSITY (QA) 2024-07-23 US claimed
US-20210033621-A1 METHODS FOR DIAGNOSING AN AUTISTIC SPECTRUM DISORDER QATAR UNIVERSITY (QA) 2021-02-04 US claimed
CN-119064480-A Screening method of UPLC-MS-based drug for inhibiting activity of advanced glycosylation end product 南京理工大学 2024-12-03 CN disclosed
US-12044684-B2 Methods for diagnosing an autistic spectrum disorder QATAR UNIVERSITY (QA) 2024-07-23 US disclosed
CN-117677839-A Method and device for detecting biological molecules 国立大学法人东京大学 2024-03-08 CN disclosed
WO-2023002892-A1 METHOD AND DEVICE FOR DETECTING BIOMOLECULE 国立大学法人 東京大学 2023-01-26 WO disclosed
US-20210033621-A1 METHODS FOR DIAGNOSING AN AUTISTIC SPECTRUM DISORDER QATAR UNIVERSITY (QA) 2021-02-04 US disclosed
WO-2017149300-A1 MARKERS FOR SKELETAL DISORDERS THE UNIVERSITY OF WARWICK (GB) 2017-09-08 WO disclosed
US-9040553-B2 Phenoxyisobutyric acid compounds and method of synthesis Cell Viable Corporation (US) 2015-05-26 US disclosed
US-20140371316-A1 DERIVATIVES OF PHENOXYISOBUTYRIC ACID FABRICANT JILL S (US) 2014-12-18 US disclosed
US-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS LALEZARI IRAJ (US) 2014-11-27 US disclosed
US-6787566-B2 ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND SELECTED FROM ARYL(AND HETEROCYCLIC) UREIDO AND ARYL(HETEROCYCLIC) CARBOXAMIDO PHENOXYISOBUTYRIC ACIDS AS INHIBITOR OF GLYCATION AND ADVANCED GLYCATION ENDPRODUCTS (AGES) (PROTEIN-AGING) CITY OF HOPE 2004-09-07 US disclosed
WO-2004071416-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGES) CITY OF HOPE (US) 2004-08-26 WO disclosed
EP-1372627-A1 USE OF BREAKERS OF ADVANCED GLYCATION ENDPRODUCTS FOR TREATING DELETERIOUS EFFECTS OF AGING AND DEBILITATING DISEASES CITY OF HOPE (US) 2004-01-02 EP disclosed
US-20030220362-A1 Novel inhibitors of formation of advanced glycation endproducts (AGEs) CITY OF HOPE 2003-11-27 US disclosed
US-6605642-B2 Administering specified compounds which are derivatives of phenoxyisobutyric acids and of benzoic acid including aryl and heterocyclic ureido derivatives and aryl and heterocyclic carboxamido derivatives; treating aging, arthritis, diabetes CITY OF HOPE 2003-08-12 US disclosed
US-6589944-B1 A method of cleaving glycation endproducts or cross-linked proteins in an organism in need thereof, wherein said method comprises administering an effective amount of a compound or pharmaceutically acceptable salt thereof to said organism for CITY OF HOPE 2003-07-08 US disclosed
WO-2002076443-A1 USE OF BREAKERS OF ADVANCED GLYCATION ENDPRODUCTS FOR TREATING DELETERIOUS EFFECTS OF AGING AND DEBILITATING DISEASES CITY OF HOPE (US) 2002-10-03 WO disclosed
US-20020013256-A1 Novel inhibitors of formation of advanced glycation endproducts (AGES) PROSCIENCE CORPORATION, INCORPORATED IN THE STATE OF NEW YORK 2002-01-31 US disclosed
US-20020002203-A1 Novel breakers of advanced glycation endproducts CITY OF HOPE 2002-01-03 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-20020002203-A1 Novel breakers of advanced glycation endproducts AGER, SSB, MRPS18B OTC 1327/4885DDAH1 1771/4885GSR 452/4885
US-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS AGER, BPGM, PDXK OTC 417/4885DDAH1 2652/4885GSR 1897/4885
US-20140371316-A1 DERIVATIVES OF PHENOXYISOBUTYRIC ACID AGER, BPGM, FOSB OTC 331/4885DDAH1 3650/4885GSR 2090/4885

“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.