SCHEMBL359087

SCHEMBL359087

CC(=O)N[C@H](C(=O)O)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TP53 P04637 1/20 0.41
MME P08473 2/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL232441 1.00 ALDH1A1 (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
SCHEMBL17439187 1.00 ALDH1A1 (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
SCHEMBL20951937 1.00 ALDH1A1 (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
SCHEMBL232440 1.00 ALDH1A1 (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
SCHEMBL6026642 1.00 ALDH1A1 (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
SCHEMBL23896338 1.00 ALDH1A1 (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
SCHEMBL6026636 1.00 ALDH1A1 (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
Benzene SCHEMBL3449157 0.95 MME (0.45) ALDH1A1CA2CA1SMN1; SMN2KDM4E
Glycine SCHEMBL20898378 0.88 ALDH1A1 (0.41) ALDH1A1CA2CA1SMN1; SMN2KDM4E
SCHEMBL30953203 0.88 MME (0.41) ALDH1A1CA2CA1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555615-B9 MASS SPECTROMETRY ASSAY METHOD FOR DETECTION AND QUANTITATION OF KIDNEY FUNCTION METABOLITES METABOLON INC (US) 2025-03-19 EP claimed
EP-3555615-B1 MASS SPECTROMETRY ASSAY METHOD FOR DETECTION AND QUANTITATION OF KIDNEY FUNCTION METABOLITES METABOLON INC (US) 2024-10-30 EP claimed
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
US-20230248682-A1 COMPOSITION FOR TREATING ATOPY OR PRURITUS COMPRISING N-ACETYL OR N-ACYL AMINO ACID STEMDR INC. (KR) 2023-08-10 US claimed
CN-115951067-A Bladder cancer biomarker extraction method and bladder cancer diagnosis model 浙江大学 2023-04-11 CN claimed
US-20220233485-A1 COMPOSITION FOR TREATING ATOPY OR PRURITUS COMPRISING N-ACETYL OR N-ACYL AMINO ACID STEMDR INC. (KR) 2022-07-28 US claimed
CN-113788877-A Novel insect kinin analogs and application thereof in aphid control 中国农业大学 2021-12-14 CN claimed
CN-111971037-A Compositions comprising N-acetyl or N-acyl amino acids for the treatment of atopy or pruritis 斯特姆德公司 2020-11-20 CN claimed
US-20200316001-A1 COMPOSITION FOR TREATING ATOPY OR PRURITUS CONTAINING N-ACETYL OR N-ACYLAMINO ACID STEMDR INC. (KR) 2020-10-08 US claimed
EP-3714880-A2 COMPOSITION FOR TREATING ATOPY OR PRURITUS COMPRISING N-ACETYL OR N-ACYL AMINO ACID Stemdr Inc. (KR) 2020-09-30 EP claimed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US claimed
EP-1689703-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES Pfizer Products Inc. (US) 2006-08-16 EP claimed
US-7026345-B2 Resolution of 3-amino alkylnitriles PFIZER INC. (US) 2006-04-11 US claimed
US-20050107453-A1 Resolution of 3-amino alkylnitriles PFIZER INC. 2005-05-19 US claimed
WO-2005040097-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES PFIZER PRODUCTS INC. (US) 2005-05-06 WO claimed
EP-1077692-B1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2004-07-28 EP claimed
EP-1077692-A1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME Warner-Lambert Company LLC (US) 2001-02-28 EP claimed
WO-1999059573-A1 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 WO claimed
WO-1998053795-B1 COSMETIC AND DERMOPHARMACEUTICAL COMPOSITIONS CONTAINING THREONINE OR SERINE DERIVATIVES 1999-02-11 WO claimed
WO-1998053795-A1 COSMETIC AND DERMOPHARMACEUTICAL COMPOSITIONS CONTAINING THREONINE OR SERINE DERIVATIVES SEDERMA S.A. (FR) 1998-12-03 WO claimed

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-20220233485-A1 COMPOSITION FOR TREATING ATOPY OR PRURITUS COMPRISING N-ACETYL OR N-ACYL AMINO ACID AADAT, NAT1, AANAT ALDH1A1 854/4885CA2 1581/4885CA1 2946/4885
US-20050107453-A1 Resolution of 3-amino alkylnitriles AADAT, AANAT, AAAS ALDH1A1 1229/4885CA2 2363/4885CA1 1162/4885
US-20230248682-A1 COMPOSITION FOR TREATING ATOPY OR PRURITUS COMPRISING N-ACETYL OR N-ACYL AMINO ACID AADAT, NAT1, AANAT ALDH1A1 854/4885CA2 1581/4885CA1 2946/4885
US-20200316001-A1 COMPOSITION FOR TREATING ATOPY OR PRURITUS CONTAINING N-ACETYL OR N-ACYLAMINO ACID NAT1, AADAT, AANAT ALDH1A1 594/4885CA2 1776/4885CA1 3031/4885

“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.