SCHEMBL2760872

SCHEMBL2760872

CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](C[C@@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.41
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
CAPN1 P07384 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13044120 1.00 CA1 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL13413134 1.00 CA1 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL13413131 0.90 CA1 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL9675593 0.88 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL9676521 0.88 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL10978956 0.86 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL8534469 0.85 CA1 (0.40) CA1CA2CA7CTSKCTSL
SCHEMBL13114385 0.85 FOLH1 (0.33)
SCHEMBL3374209 0.84 CA1 (0.44) CA1CA2CA7CTSKCTSL
SCHEMBL8270762 0.83 CA1 (0.39) CA1CA2CA7CTSKCTSL

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
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-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-7244708-B2 Inhibitors of memapsin 2 and use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2007-07-17 US disclosed
EP-1496124-A1 Catalytically active recombinant memapsin and methods of use thereof Oklahoma Medical Research Foundation (US) 2005-01-12 EP disclosed
US-20040220079-A1 COMPLEXING MEMAPSIN 2 IN PRESENCE OF ASPARTIC RESIDUES; DIAGNOSIS, THERAPY FOR ALZHEIMER'S DISEASE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2004-11-04 US disclosed
US-20040121947-A1 Compounds which inhibit beta-secretase activity and methods of use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2004-06-24 US disclosed
US-20030092629-A1 Inhibitors of memapsin 2 and use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-05-15 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
WO-2001000665-A9 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF OKLAHOMA MED RES FOUND (US) 2002-07-25 WO disclosed
EP-1194449-A2 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF Oklahoma Medical Research Foundation (US) 2002-04-10 EP disclosed
WO-2001000665-A2 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2001-01-04 WO 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 (5 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-20030092629-A1 Inhibitors of memapsin 2 and use thereof MMEL1, MME, METAP2 CA1 104/4885CA2 641/4885CA7 1360/4885
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
US-20040220079-A1 COMPLEXING MEMAPSIN 2 IN PRESENCE OF ASPARTIC RESIDUES; DIAGNOSIS, THERAPY FOR ALZHEIMER'S DISEASE PSEN2, ANPEP, APP CA1 1213/4885CA2 2292/4885CA7 4029/4885
US-20040121947-A1 Compounds which inhibit beta-secretase activity and methods of use thereof BACE2, BACE1, PSEN2 CA1 554/4885CA2 2853/4885CA7 4237/4885

“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.