SCHEMBL1781832

SCHEMBL1781832

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.62
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CAPN1 P07384 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL9644705 1.00 CTSK (0.62) CTSKCA1CA2CA7CTSL
SCHEMBL739719 1.00 CTSK (0.62) CTSKCA1CA2CA7CTSL
SCHEMBL13263255 0.88 CTSK (0.60) CTSKCA1CA2CA7CTSL
SCHEMBL29957942 0.87 CTSK (0.59) CTSKCA1CA2CA7CTSS
SCHEMBL6829984 0.86 CA1 (0.51) CTSKCA1CA2CA7CTSL
SCHEMBL16564868 0.85 CTSK (0.53) CTSKCA1CA2CA7CTSL
SCHEMBL3894401 0.85 CTSK (0.60) CTSKCA1CA2CA7
SCHEMBL22363059 0.85 CTSK (0.60) CTSKCA1CA2CA7
SCHEMBL7433177 0.85 CTSK (0.53) CTSKCA1CA2CA7CTSL
SCHEMBL6786634 0.85 CTSK (0.53) CTSKCA1CA2CA7CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2019-04-30 US claimed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US claimed
EP-2998329-A2 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2016-03-23 EP claimed
US-20160051576-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2016-02-25 US claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
EP-2539380-A2 CROSSLINKED POLYVRNYLAMINE, POLY ALL YLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP claimed
WO-2011106542-A2 CROSSLINKED POLYVRNYLAMINE, POLY ALL YLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 WO 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
US-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-01-24 US claimed
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
CN-112368263-B Dipeptidyl ketoamide m-methoxyphenyl derivative and application thereof 兰德施泰纳根梅德公司 2023-09-26 CN disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0369391-A2 N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed
US-4886914-A REACTING N,O-DIMETHYLHYDROXYLAMINE WITH BLOCKED AMINO ACID ESTER AND REDUCING SANOFI (FR) 1989-12-12 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 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 (7 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 CTSK 1682/4885CA1 477/4885CA2 309/4885
US-20160051576-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 CTSK 4156/4885CA1 4464/4885CA2 4395/4885
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CTSK 3267/4885CA1 4256/4885CA2 3436/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CTSK 2553/4885CA1 1530/4885CA2 1672/4885
US-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF PSEN2, APP, ANPEP CTSK 2847/4885CA1 2083/4885CA2 2733/4885
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants NR1H4, SLC10A2, GPBAR1 CTSK 4156/4885CA1 4464/4885CA2 4395/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 CTSK 2078/4885CA1 1094/4885CA2 365/4885

“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.