SCHEMBL13078313

SCHEMBL13078313

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TP53 P04637 1/20 0.43
CAPN1 P07384 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ABCB1 P08183 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL8446912 1.00 CA1 (0.53) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL741043 0.88 CA1 (0.55) CA1CA2CA7CTSLCTSB
SCHEMBL5564464 0.88 CA1 (0.55) CA1CA2CA7CTSLCTSB
SCHEMBL10724727 0.88 CA1 (0.55) CA1CA2CA7CTSLCTSB
SCHEMBL19618687 0.88 CA1 (0.55) CA1CA2CA7CTSLCTSB
SCHEMBL10724721 0.88 CA1 (0.55) CA1CA2CA7CTSLCTSB
SCHEMBL14385267 0.85 CA1 (0.53) CA1CA2CA7CTSLCTSB
SCHEMBL10138729 0.84 CA1 (0.46) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL13688686 0.84 CA1 (0.46) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL6373993 0.84 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829669-B2 Catalytically active recombinant memapsin and methods of use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2010-11-09 US 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-20080112946-A1 Catalytically active recombinant memapsin and methods of use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION 2008-05-15 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-7244708-B2 Inhibitors of memapsin 2 and use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2007-07-17 US 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-20080112946-A1 Catalytically active recombinant memapsin and methods of use thereof ANPEP, PSEN2, APP CA1 1903/4885CA2 2885/4885CA7 4124/4885
US-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF PSEN2, APP, ANPEP CA1 2083/4885CA2 2733/4885CA7 4349/4885

“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.