SCHEMBL5808622

SCHEMBL5808622

CC(C)[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.60
ANPEP P15144 2/20 0.60
RNPEP Q9H4A4 1/20 0.60
DNPEP Q9ULA0 1/20 0.60
MME P08473 3/20 0.53
ALDH1A1 P00352 2/20 0.50
CTSD P07339 2/20 0.48
LTA4H P09960 1/20 0.47
CTRB1 P17538 2/20 0.47
ECE1 P42892 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL21570176 1.00 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL5808621 1.00 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL21570174 1.00 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL16431328 1.00 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL29885081 0.97 LAP3 (0.57) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL15411968 0.89 CTSD (0.57) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL15411970 0.89 CTSD (0.57) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL5964673 0.89 LAP3 (0.54) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL29082941 0.89 LAP3 (0.54) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL5964664 0.89 LAP3 (0.54) LAP3ANPEPRNPEPDNPEPMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 US claimed
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-01-28 US disclosed
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-01-28 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US disclosed
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 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 (2 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT LAP3 4399/4885ANPEP 2125/4885RNPEP 925/4885
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER XDH, MYB, DDC LAP3 820/4885ANPEP 1078/4885RNPEP 2017/4885

“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.