SCHEMBL6010268

SCHEMBL6010268

CC(NCC(O)CO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.37
TP53 P04637 1/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
FAAH O00519 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
XIAP P98170 1/20 0.33
MLX Q9UH92 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6010263 1.00 OR51E2 (0.37) OR51E2TP53ADRB2ADRB1ADRB3
SCHEMBL24059966 0.83 MME (0.40) TP53ADRB2ADRB1ADRB3FAAH
SCHEMBL21441515 0.83 MME (0.40) TP53ADRB2ADRB1ADRB3FAAH
Hydrochloric Acid SCHEMBL7262796 0.81 MME (0.39) TP53ADRB2ADRB1ADRB3FAAH
SCHEMBL6374401 0.79 TP53 (0.41) TP53FAAHCYP2D6CYP2C19ALDH1A1
SCHEMBL22887450 0.79 TP53 (0.41) TP53FAAHCYP2D6CYP2C19ALDH1A1
SCHEMBL2559274 0.79 TP53 (0.41) TP53FAAHCYP2D6CYP2C19ALDH1A1
SCHEMBL4582873 0.79 TP53 (0.41) TP53FAAHCYP2D6CYP2C19MME
SCHEMBL4582880 0.79 TP53 (0.41) TP53FAAHCYP2D6CYP2C19MME
SCHEMBL10084435 0.79 TP53 (0.41) TP53FAAHCYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677620-A Antiviral prodrugs of Entecavir (ETV) and formulations thereof 斯克里普斯研究学院 2024-03-08 CN disclosed
CN-116457346-A Preparation of indolone derivatives as novel diacylglycerol O-acyltransferase 2 inhibitors 默沙东有限责任公司 2023-07-18 CN disclosed
US-20210163400-A1 DEHYDRATION AND AMINATION OF ALPHA-, BETA-DIHYDROXY CARBONYL COMPOUNDS TO ALPHA-AMINO ACIDS ARCHER DANIELS MIDLAND COMPANY (US) 2021-06-03 US disclosed
US-10292919-B2 Oral and dental hygiene and cleaning products with an arginine derivative for improved plaque removal HENKEL AG & CO. KGAA (DE) 2019-05-21 US disclosed
US-20170326053-A1 ORAL AND DENTAL HYGIENE AND CLEANING PRODUCTS WITH AN ARGININE DERIVATIVE FOR IMPROVED PLAQUE REMOVAL HENKEL AG & CO. KGAA (DE) 2017-11-16 US disclosed
US-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative SEIWA KASEI COMPANY, LIMITED (JP) 2006-01-26 US disclosed
EP-1584320-A1 COSMETIC PREPARATION CONTAINING GLYCERYLAMINO ACID DERIVATIVE Seiwa Kasei Company, Limited (JP) 2005-10-12 EP 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-10292919-B2 Oral and dental hygiene and cleaning products with an arginine derivative for improved plaque removal ARG1, PRMT1, ARGLU1 OR51E2 1887/4885TP53 1190/4885ADRB2 4315/4885
US-20170326053-A1 ORAL AND DENTAL HYGIENE AND CLEANING PRODUCTS WITH AN ARGININE DERIVATIVE FOR IMPROVED PLAQUE REMOVAL ARG1, PRMT1, ARGLU1 OR51E2 1887/4885TP53 1190/4885ADRB2 4315/4885
US-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative GLA, GPKOW, CUTA OR51E2 2335/4885TP53 1525/4885ADRB2 678/4885
US-20210163400-A1 DEHYDRATION AND AMINATION OF ALPHA-, BETA-DIHYDROXY CARBONYL COMPOUNDS TO ALPHA-AMINO ACIDS DAO, BCAT1, BCAT2 OR51E2 741/4885TP53 759/4885ADRB2 417/4885

“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.