SCHEMBL7433744

SCHEMBL7433744

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.61
CTSS P25774 3/20 0.61
CTSL P07711 2/20 0.61
CTSB P07858 1/20 0.61
CAPN1 P07384 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
AAK1 Q2M2I8 1/20 0.48
REN P00797 2/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL14225360 1.00 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL12890750 1.00 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14152879 0.88 CTSK (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL2632701 0.88 CTSK (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL26045045 0.86 CTSK (0.48) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18786179 0.86 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL17560 0.86 CTSL (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL21675512 0.86 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL17559 0.86 CTSL (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL66243 0.86 CTSL (0.66) CTSKCTSSCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018065611-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE Oxford Drug Design Limited (GB) 2018-04-12 WO disclosed
US-7678760-B2 Inhibitors of Memapsin 2 and use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-16 US disclosed
US-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-01-24 US disclosed
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 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 (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-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF PSEN2, APP, ANPEP CTSK 2847/4885CTSS 2264/4885CTSL 1036/4885

“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.