SCHEMBL17559

SCHEMBL17559

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.66
CTSS P25774 2/20 0.66
CTSK P43235 2/20 0.66
CTSB P07858 1/20 0.66
CAPN1 P07384 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
FOLH1 Q04609 5/20 0.53
MAPT P10636 1/20 0.50
LAP3 P28838 3/20 0.49
MAPK1 P28482 1/20 0.48
AAK1 Q2M2I8 1/20 0.48

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
SCHEMBL17560 1.00 CTSL (0.66) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL66243 1.00 CTSL (0.66) CTSLCTSSCTSKCTSBCAPN1
Fluoride SCHEMBL27561259 0.98 CTSL (0.64) CTSLCTSSCTSKCTSBCAPN1
Water SCHEMBL11331808 0.98 CTSS (0.68) CTSLCTSSCTSKCTSBCAPN1
Water SCHEMBL1069558 0.98 CTSS (0.68) CTSLCTSSCTSKCTSBCAPN1
Water SCHEMBL645995 0.98 CTSS (0.68) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL28058660 0.98 CTSL (0.64) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL8579795 0.98 CTSL (0.64) CTSLCTSSCTSKCTSBCAPN1
Water SCHEMBL2838131 0.98 CTSS (0.68) CTSLCTSSCTSKCTSBCAPN1
Hydrazine SCHEMBL8410651 0.97 CTSL (0.62) CTSLCTSSCTSKCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109867691-B Aryl amine derivative and preparation method and application thereof 广东工业大学 2021-11-30 CN claimed
CN-110343245-A Glycopeptide of epsilon-polylysine-graft-hydrophobic amino acid-graft-trehalose and preparation method thereof 天津大学 2019-10-18 CN claimed
US-10000520-B2 B-vitamin and amino acid conjugates ofnicotinoyl ribosides and reduced nicotinoyl ribosides, derivatives thereof, and methods of preparation thereof ChromaDex Inc. (US) 2018-06-19 US claimed
US-20170267709-A1 B-VITAMIN AND AMINO ACID CONJUGATES OFNICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF ChromaDex Inc. (US) 2017-09-21 US claimed
CN-101245096-B Liquid phase synthesizing method for N-benzyl oxylcarbonyl isoleucyl -beta-tert-butyl glutamyl-alanyl-amino aldehyde SHANGHAI INST ORGANIC CHEM 2010-12-15 CN claimed
EP-1194449-B1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF OKLAHOMA MED RES FOUND (US) 2010-09-22 EP claimed
US-7678760-B2 Inhibitors of Memapsin 2 and use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-16 US claimed
CN-100590068-C Method for preparing primary amine carbon nano tube UNIV TONGJI 2010-02-17 CN claimed
CN-101245096-A Liquid phase synthesizing method for N-benzyl oxylcarbonyl isoleucyl -beta-tert-butyl glutamyl-alanyl-amino aldehyde SHANGHAI INST ORGANIC CHEM (CN) 2008-08-20 CN claimed
CN-101177259-A Method for preparing primary amine carbon nano tube UNIV TONGJI (CN) 2008-05-14 CN claimed
US-7265140-B2 Acyloxymethylcarbamate prodrugs of oxazolidinones PFIZER INC (US) 2007-09-04 US claimed
CN-1303086-C Compound of dual functional esterified prodrug of Cefetamet, and oral preparation ZHU XIAOMAO (CN) 2007-03-07 CN claimed
EP-1668005-B1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES PHARMACIA & UPJOHN CO LLC (US) 2007-02-14 EP claimed
EP-1668005-A1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES Pharmacia & Upjohn Company LLC (US) 2006-06-14 EP claimed
US-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria PHARMACIA & UPJOHN COMPANY LLC 2005-12-01 US claimed
CN-1687076-A Compound of dual functional esterified prodrug of Cefetamet, and oral preparation ZHU XIAOMAO (CN) 2005-10-26 CN claimed
WO-2005028473-A1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-03-31 WO claimed
EP-0189803-B1 INDOL-3-YL-QUINAZOLINO-1,4-BENZODIAZEPIN-5,13-DIONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1990-04-25 EP claimed
EP-0189803-A1 Indol-3-yl-quinazolino-1,4-benzodiazepin-5,13-diones, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-08-06 EP claimed
US-4559339-A CENTRAL NERVOUS SYSTEM, GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 1985-12-17 US 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 (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-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria HDAC3, HDAC1, OGA CTSL 1846/4885CTSS 3028/4885CTSK 1988/4885
US-10000520-B2 B-vitamin and amino acid conjugates ofnicotinoyl ribosides and reduced nicotinoyl ribosides, derivatives thereof, and methods of preparation thereof NAMPT, NAPRT, NNMT CTSL 4053/4885CTSS 4478/4885CTSK 4555/4885
US-20170267709-A1 B-VITAMIN AND AMINO ACID CONJUGATES OFNICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF NAMPT, NAPRT, NNMT CTSL 4053/4885CTSS 4478/4885CTSK 4555/4885

“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.