SCHEMBL3418798

SCHEMBL3418798

C=CCN(CC(=O)O)CP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
BLM P54132 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PMP22 Q01453 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ALOX15 P16050 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9505329 0.83 ALDH1A1 (0.38) TDP1KDM4EALOX15ALDH1A1MEN1
SCHEMBL23201906 0.83 ALDH1A1 (0.38) TDP1KDM4EALOX15ALDH1A1MEN1
SCHEMBL26105239 0.81 ALDH1A1 (0.37) TDP1ALDH1A1
SCHEMBL26107197 0.81 ALDH1A1 (0.37) TDP1ALDH1A1
SCHEMBL175747 0.81 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL429048 0.81 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL67368 0.81 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL27709276 0.81 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL65674 0.81 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL11895837 0.81 TDP1 (0.50) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058834-A1 Preparation of N-acyl amino carboxylic acids, amino carboxylic acids and their derivatives by metal-catalyzed carboxymethylation in the presence of a promoter MONSANTO TECHNOLOGY LLC 2002-05-16 US claimed
WO-2001092208-A1 METAL-CATALYSED CARBOXYMETHYLATION IN THE PRESENCE OF A PROMOTER MONSANTO TECHNOLOGY LLC (US) 2001-12-06 WO claimed
US-6153753-A CATALYTIC CARBOXYMETHYLATION OF A CARBAMOYL COMPOUND BY PREMIXING THE CARBAMOYL COMPOUND AND THE CARBOXYMETHYLATION CATALYST PRECURSOR FIRST, THEN ADDING THE WATER AND ALDEHYDE; FORMING N-(PHOSPHONOMETHYL)GLYCINE HERBICIDE OR PESTICIDE MONSANTO COMPANY (US) 2000-11-28 US claimed
US-5068404-A Heating aqueous solution of di- or tri-alkali metal salt of N-alkyl-N-phosphonomethylglycine MONSANTO COMPANY (US) 1991-11-26 US claimed
EP-0449987-A1 PROCESS FOR THE PREPARATION OF N-PHOSPHONOMETHYLGLYCINE MONSANTO COMPANY (US) 1991-10-09 EP claimed
WO-1990006929-A1 PROCESS FOR THE PREPARATION OF N-PHOSPHONOMETHYLGLYCINE MONSANTO COMPANY (US) 1990-06-28 WO claimed
CN-1004696-B Thermal dealkylation of N-alkyl-N-phosphonomethylglycine 孟山都公司 1989-07-05 CN claimed
EP-0187633-B1 THERMAL DEALKYLATION OF N-ALKYL N-PHOSPHONOMETHYLGLYCINE Monsanto Company (US) 1989-03-01 EP claimed
US-4684483-A FROM GLYOXAL, AMINE, SULFUR DIOXIDE MONSANTO COMPANY (US) 1987-08-04 US claimed
CN-85109393-A The hot dealkylation reaction of N-alkyl-N phosphonomethylglycine 1986-12-03 CN claimed
EP-0187633-A1 Thermal dealkylation of n-alkyl n-phosphonomethylglycine Monsanto Company (US) 1986-07-16 EP claimed
EP-1125634-B1 Shaped fixed bed Raney-Cu catalyst EVONIK DEGUSSA GMBH (DE) 2010-12-08 EP disclosed
US-7632967-B2 Raney copper DEGUSSA AG (DE) 2009-12-15 US disclosed
CN-101530804-A Skeletal copper EVONIK DEGUSSA CO LTD 2009-09-16 CN disclosed
US-20070270306-A1 RANEY COPPER EVONIK DEGUSSA GMBH (DE) 2007-11-22 US disclosed
US-4650613-A Process for preparing N-phosphonomethylglycine and derivatives MONSANTO COMPANY (US) 1987-03-17 US disclosed
CN-85109393-A The hot dealkylation reaction of N-alkyl-N phosphonomethylglycine 1986-12-03 CN disclosed
EP-0187633-A1 Thermal dealkylation of n-alkyl n-phosphonomethylglycine Monsanto Company (US) 1986-07-16 EP disclosed
EP-0187633-A1 Thermal dealkylation of n-alkyl n-phosphonomethylglycine Monsanto Company (US) 1986-07-16 EP disclosed
EP-0187633-A1 Thermal dealkylation of n-alkyl n-phosphonomethylglycine Monsanto Company (US) 1986-07-16 EP 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 (1 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-20020058834-A1 Preparation of N-acyl amino carboxylic acids, amino carboxylic acids and their derivatives by metal-catalyzed carboxymethylation in the presence of a promoter BCAT2, GNMT, BCAT1 TDP1 4724/4885EYA2 3445/4885APP 3328/4885

“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.