SCHEMBL6792984

SCHEMBL6792984

O=C(O)CN(CC(=O)O)C(=O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
EYA2 O00167 1/20 0.47
APP P05067 1/20 0.47
ACE P12821 1/20 0.47
LMNA P02545 4/20 0.45
TSHR P16473 4/20 0.45
PMP22 Q01453 3/20 0.45
BLM P54132 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL562965 0.79 TDP1 (0.47) TDP1EYA2APPACELMNA
SCHEMBL11118892 0.78 TDP1 (0.36) TDP1EYA2APPACELMNA
SCHEMBL6794530 0.76 TDP1 (0.40) TDP1EYA2APPACELMNA
SCHEMBL10002665 0.73 TDP1 (0.43) TDP1EYA2APPACELMNA
SCHEMBL4689987 0.73 TDP1 (0.43) TDP1EYA2APPACELMNA
SCHEMBL14005083 0.73 TDP1 (0.43) TDP1EYA2APPACELMNA
SCHEMBL2687920 0.73 TDP1 (0.43) TDP1EYA2APPACELMNA
SCHEMBL7718304 0.73 TDP1 (0.43) TDP1EYA2APPACELMNA
SCHEMBL10002664 0.73 TDP1 (0.43) TDP1EYA2APPACELMNA
SCHEMBL21778 0.71

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759549-B2 PREPARATION OF N-(PHOSPHONOMETHYL)GLYCINE, ITS SALTS, AND ITS ESTERS, WHEREIN THE METHOD OF PREPARATION COMPRISES A CARBOXYMETHYLATION STEP MONSANTO TECHNOLOGY LLC 2004-07-06 US disclosed
US-20030225298-A1 Method of preparing amino carboxylic acids MONSANTO TECHNOLOGY LLC 2003-12-04 US disclosed
US-20030088122-A1 Method of preparing amino carboxylic acids JOHNSON TODD J (US) 2003-05-08 US disclosed
US-20020002281-A1 Method of preparing amino carboxylic acids JOHNSON TODD J (US) 2002-01-03 US disclosed
US-6265605-B1 ADDITIVE IN PROCESSED MEAT, BEVERAGES, AND IN OTHER PROCESSED FOOD STUFFS; AS INTERMEDIATES IN DRUGS, AGRICULTURAL CHEMICALS AND PESTICIDES, HERBICIDES MONSANTO COMPANY 2001-07-24 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-20020002281-A1 Method of preparing amino carboxylic acids CPS1, GNMT, HNMT TDP1 3962/4885EYA2 4365/4885APP 3244/4885
US-20030088122-A1 Method of preparing amino carboxylic acids CPS1, GNMT, HNMT TDP1 3962/4885EYA2 4365/4885APP 3244/4885
US-20030225298-A1 Method of preparing amino carboxylic acids CPS1, GNMT, HNMT TDP1 3962/4885EYA2 4365/4885APP 3244/4885

“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.