SCHEMBL2760591

SCHEMBL2760591

CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSL P07711 2/20 0.39
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKCA P17252 3/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
MAP1LC3A Q9H492 1/20 0.35

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
SCHEMBL2760527 1.00 CA1 (0.40) CA1CA2CA7CTSLCTSK
SCHEMBL8270806 1.00 CA1 (0.40) CA1CA2CA7CTSLCTSK
SCHEMBL3184303 0.87 CA1 (0.34) CA1CA2CA7CTSLCTSK
SCHEMBL3184315 0.87 CA1 (0.34) CA1CA2CA7CTSLCTSK
SCHEMBL3184308 0.87 CA1 (0.34) CA1CA2CA7CTSLCTSK
SCHEMBL3184297 0.87 CA1 (0.34) CA1CA2CA7CTSLCTSK
SCHEMBL13413126 0.86 CA1 (0.39) CA1CA2CA7CTSLCTSK
SCHEMBL3185350 0.86 REN (0.34) CA1CA2CA7CTSLCTSK
SCHEMBL3185341 0.86 REN (0.34) CA1CA2CA7CTSLCTSK
SCHEMBL3185355 0.86 REN (0.34) CA1CA2CA7CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919021-B2 Brain permeant peptidomimetic beta-secretase 1 inhibitors for the treatment or prophylaxis of neurological disorders or conditions IBET—INSTITUTO DE BIOLOGIA EXPERIMENTAL E TECNOLÓGICA (PT) 2018-03-20 US disclosed
US-20170296618-A1 BRAIN PERMEANT PEPTIDOMIMETIC BETA-SECRETASE 1 INHIBITORS FOR THE TREATMENT OR PROPHYLAXIS OF NEUROLOGICAL DISORDERS OR CONDITIONS IBET - INSTITUTO DE BIOLOGIA EXPERIMENTAL E TECNOLOGICA (PT) 2017-10-19 US disclosed
US-7829669-B2 Catalytically active recombinant memapsin and methods of use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2010-11-09 US disclosed
US-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF GHOSH ARUN K 2010-10-21 US disclosed
US-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF GHOSH ARUN K 2010-10-21 US disclosed
US-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF GHOSH ARUN K 2010-10-21 US disclosed
EP-1194449-B1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF OKLAHOMA MED RES FOUND (US) 2010-09-22 EP 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-7659289-B2 Hydroxyethylene-based β-secretase inhibitors and use thereof COMENTIS, INC. (US) 2010-02-09 US disclosed
US-7659289-B2 Hydroxyethylene-based β-secretase inhibitors and use thereof COMENTIS, INC. (US) 2010-02-09 US disclosed
US-6545127-B1 Alzheimer*s disease; amyloid precursor protein OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-04-08 US disclosed
US-20020164760-A1 Catalytically active recombinant memapsin and methods of use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION 2002-11-07 US disclosed
US-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
EP-0326364-B1 Renin inhibitory oligopeptides, their preparation and use SANKYO CO (JP) 1994-06-22 EP disclosed
EP-0212903-B1 POLYPEPTIDE DERIVATIVES CONTAINING 5-AMINO-2,5-DISUBSTITUTED-4-HYDROXYPENTANOIC ACID RESIDUES PFIZER INC. (US) 1992-12-30 EP disclosed
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 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 (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-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE2, BACE1, PSEN2 CA1 785/4885CA2 2737/4885CA7 4230/4885
US-20170296618-A1 BRAIN PERMEANT PEPTIDOMIMETIC BETA-SECRETASE 1 INHIBITORS FOR THE TREATMENT OR PROPHYLAXIS OF NEUROLOGICAL DISORDERS OR CONDITIONS BACE1, BACE2, APP CA1 920/4885CA2 3608/4885CA7 4148/4885

“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.