SCHEMBL667846

SCHEMBL667846

CC(NCC(=O)O)C(=O)O.[Na].[Na]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ECE1 P42892 1/20 0.36
CYP1A2 P05177 1/20 0.36
MME P08473 2/20 0.35
ACE P12821 2/20 0.35
CPA1 P15085 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
TP53 P04637 1/20 0.35
CTH P32929 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
LTA4H P09960 2/20 0.33

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
SCHEMBL14056387 1.00 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2805307 0.97 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2132525 0.97 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL1700840 0.97 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
Hydrochloric Acid SCHEMBL10578120 0.95 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
Boric Acid SCHEMBL31168108 0.91 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
Alanine SCHEMBL27729429 0.89 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5960119 0.87 BHMT (0.37) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL28627379 0.83 EGLN1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL596423 0.80 ALDH1A1 (0.36) ALDH1A1LMNAMAPTPTGS2TDP1

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-20140155646-A1 PROCESS FOR THE PREPARATION OF A POWDER COMPRISING ONE OR MORE DERIVATIVES OF GLYCINE-N,N DIACETIC ACID AND /OR ONE OR MORE DERIVATIVES OF GLUTAMINE-N,N DIACETIC ACID AND METHYLGLYCINE-N,N DIACETIC ACID TRISODIUM SALT POWDER BASF SE (DE) 2014-06-05 US disclosed
US-8628684-B2 Process for the preparation of a powder comprising one or more derivatives of glycine-N,N diacetic acid and/or one or more derivatives of glutamine-N,N diacetic acid and methylglycine-N,N diacetic acid trisodium salt powder BASF SE (DE) 2014-01-14 US disclosed
US-8609894-B2 Process for preparing aminopolycarboxylates BASF SE (DE) 2013-12-17 US disclosed
US-20130165689-A1 PROCESS FOR PREPARING ONE OR MORE COMPLEXING AGENTS SELECTED FROM METHYLGLYCINEDIACETIC ACID, GLUTAMIC ACID DIACETIC ACID AND SALTS THEREOF BASF SE (DE) 2013-06-27 US disclosed
US-20120302783-A1 PROCESS FOR PREPARING AMINOPOLYCARBOXYLATES BASF SE (DE) 2012-11-29 US disclosed
US-20120046491-A1 PROCESS FOR THE PREPARATION OF A POWDER COMPRISING ONE OR MORE DERIVATIVES OF GLYCINE-N,N DIACETIC ACID AND /OR ONE OR MORE DERIVATIVES OF GLUTAMINE-N,N DIACETIC ACID AND METHYLGLYCINE-N,N DIACETIC ACID TRISODIUM SALT POWDER BASF SE (DE) 2012-02-23 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 (4 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-20120046491-A1 PROCESS FOR THE PREPARATION OF A POWDER COMPRISING ONE OR MORE DERIVATIVES OF GLYCINE-N,N DIACETIC ACID AND /OR ONE OR MORE DERIVATIVES OF GLUTAMINE-N,N DIACETIC ACID AND METHYLGLYCINE-N,N DIACETIC ACID TRISODIUM SALT POWDER GNMT, GLUL, ASNS ALDH1A1 4842/4885LMNA 1947/4885MAPT 1761/4885
US-20140155646-A1 PROCESS FOR THE PREPARATION OF A POWDER COMPRISING ONE OR MORE DERIVATIVES OF GLYCINE-N,N DIACETIC ACID AND /OR ONE OR MORE DERIVATIVES OF GLUTAMINE-N,N DIACETIC ACID AND METHYLGLYCINE-N,N DIACETIC ACID TRISODIUM SALT POWDER GNMT, GLUL, ASNS ALDH1A1 4853/4885LMNA 1717/4885MAPT 1915/4885
US-20130165689-A1 PROCESS FOR PREPARING ONE OR MORE COMPLEXING AGENTS SELECTED FROM METHYLGLYCINEDIACETIC ACID, GLUTAMIC ACID DIACETIC ACID AND SALTS THEREOF GRIK1, DDC, CA1 ALDH1A1 692/4885LMNA 3668/4885MAPT 2792/4885
US-20120302783-A1 PROCESS FOR PREPARING AMINOPOLYCARBOXYLATES ALDH7A1, DDC, PARG ALDH1A1 120/4885LMNA 2362/4885MAPT 1391/4885

“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.