SCHEMBL21027927

SCHEMBL21027927

NC[C@H](NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.58
CYP1A2 P05177 2/20 0.47
FAAH O00519 1/20 0.44
SIRT1 Q96EB6 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 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
SCHEMBL5262303 0.85 SLC1A3 (0.55) SLC1A3CYP1A2FAAHSIRT1ALDH1A1
SCHEMBL5262300 0.85 SLC1A3 (0.55) SLC1A3CYP1A2FAAHSIRT1ALDH1A1
SCHEMBL5854503 0.84 SLC1A3 (0.52) SLC1A3CYP1A2FAAHSIRT1ITGB3
SCHEMBL5854507 0.84 SLC1A3 (0.52) SLC1A3CYP1A2FAAHSIRT1ITGB3
SCHEMBL5855554 0.84 SLC1A3 (0.52) SLC1A3CYP1A2FAAHSIRT1ITGB3
SCHEMBL21802396 0.83 SLC1A3 (0.54) SLC1A3CYP1A2FAAHSIRT1MAPT
SCHEMBL21802397 0.83 SLC1A3 (0.54) SLC1A3CYP1A2FAAHSIRT1MAPT
SCHEMBL30502373 0.83 SLC1A3 (0.54) SLC1A3CYP1A2FAAHSIRT1ALDH1A1
SCHEMBL8604298 0.83 CYP1A2 (0.57) SLC1A3CYP1A2FAAHSIRT1ALDH1A1
SCHEMBL5261062 0.83 SLC1A3 (0.51) SLC1A3SIRT1ITGB3ITGA2BSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370812-B2 Materials and methods for detection and quantification of β-N-methylamino-L-alanine NORTH CAROLINA STATE UNIVERSITY (US) 2022-06-28 US disclosed
US-20190241607-A1 COMPOSITIONS AND METHODS FOR DETECTION OF BETA N METHYLAMINO L ALANINE IN CU ZN SUPEROXIDE DISMUTASE 1 UNIV NORTH CAROLINA STATE (US) 2019-08-08 US disclosed
US-20190161515-A1 MATERIALS AND METHODS FOR DETECTION AND QUANTIFICATION OF BETA-N-METHYLAMINO-L-ALANINE NORTH CAROLINA STATE UNIVERSITY 2019-05-30 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-20190241607-A1 COMPOSITIONS AND METHODS FOR DETECTION OF BETA N METHYLAMINO L ALANINE IN CU ZN SUPEROXIDE DISMUTASE 1 SOD1, SOD3, BCAT1 SLC1A3 96/4885CYP1A2 3207/4885FAAH 3801/4885
US-20190161515-A1 MATERIALS AND METHODS FOR DETECTION AND QUANTIFICATION OF BETA-N-METHYLAMINO-L-ALANINE AADAT, BCAT1, BCAT2 SLC1A3 64/4885CYP1A2 4580/4885FAAH 2228/4885
US-11370812-B2 Materials and methods for detection and quantification of β-N-methylamino-L-alanine AADAT, BCAT1, BCAT2 SLC1A3 59/4885CYP1A2 4602/4885FAAH 2250/4885

“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.