SCHEMBL3713828

SCHEMBL3713828

C[C@H](NCCC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ECE1 P42892 4/20 0.41
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39

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
SCHEMBL88209 1.00 CYP1A2 (0.44) CYP1A2ALDH1A1THRBTSHRHSD17B10
SCHEMBL20677353 0.85 TSHR (0.40) CYP1A2ALDH1A1THRBTSHRHSD17B10
SCHEMBL14037307 0.85 TSHR (0.40) CYP1A2ALDH1A1THRBTSHRHSD17B10
SCHEMBL5197097 0.85 ADRA1A (0.48) ALDH1A1TSHRHSD17B10LMNA
SCHEMBL9335787 0.84 ECE1 (0.44) CYP1A2ALDH1A1THRBTSHRHSD17B10
SCHEMBL31000621 0.82 ALDH1A1 (0.41) CYP1A2ALDH1A1THRBTSHRHSD17B10
SCHEMBL29138980 0.80 ALDH1A1 (0.40) CYP1A2ALDH1A1THRBTSHRHSD17B10
SCHEMBL20814002 0.80 TSHR (0.48) ALDH1A1THRBTSHRHSD17B10LMNA
SCHEMBL7362273 0.80 TSHR (0.48) ALDH1A1THRBTSHRHSD17B10LMNA
SCHEMBL2179403 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100589-A1 TASTE MODIFYING COMPOUND FIRMENICH SA (CH) 2010-09-10 WO claimed
US-20260014265-A1 TRIPLE-PAYLOAD ANTIBODY-DRUG CONJUGATES (ADCs) ARARIS BIOTECH AG (CH) 2026-01-15 US disclosed
EP-4604726-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH Ecolab USA Inc. (US) 2025-08-27 EP disclosed
WO-2024086642-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. (US) 2024-04-25 WO disclosed
EP-4097209-A1 AMYLASE SYNERGY WITH OXYGEN BLEACH IN WAREWASH APPLICATION Ecolab USA Inc. (US) 2022-12-07 EP disclosed
WO-2021155135-A1 AMYLASE SYNERGY WITH OXYGEN BLEACH IN WAREWASH APPLICATION ECOLAB USA INC. (US) 2021-08-05 WO disclosed
WO-2018143923-A1 AMINE SYNERGISTS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2018-08-09 WO disclosed
EP-1412515-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS Genset (FR) 2004-04-28 EP disclosed
WO-2002066672-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS GENSET S.A. (FR) 2002-08-29 WO 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-20260014265-A1 TRIPLE-PAYLOAD ANTIBODY-DRUG CONJUGATES (ADCs) TOP2A, TOP1, TOP2B CYP1A2 3490/4885ALDH1A1 2863/4885THRB 2612/4885

“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.