SCHEMBL4750042

SCHEMBL4750042

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.61
CTSK P43235 1/20 0.61
BACE1 P56817 19/20 0.61

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
SCHEMBL1752665 0.93 CTSS (0.57) CTSSCTSKBACE1
SCHEMBL8549086 0.89 CTSS (0.64) CTSSCTSKBACE1
SCHEMBL8549092 0.89 CTSS (0.64) CTSSCTSKBACE1
SCHEMBL8416665 0.87 CA2 (0.72) CTSSCTSK
SCHEMBL4372981 0.87 ATM (0.53) CTSSCTSKBACE1
SCHEMBL7329532 0.87 BACE1 (0.62) CTSSCTSKBACE1
SCHEMBL4372998 0.87 ATM (0.53) CTSSCTSKBACE1
SCHEMBL6102122 0.87 MEP1B (0.58) CTSSCTSKBACE1
SCHEMBL30279569 0.86 BACE1 (0.59) CTSSCTSKBACE1
SCHEMBL29253632 0.86 BACE1 (0.59) CTSSCTSKBACE1

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-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF GHOSH ARUN K 2010-10-21 US disclosed
WO-2008119773-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO 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-4918105-A Novel compounds with collagenase-inhibiting activity, a process for their preparation and pharmaceutical compositions in which these compounds are present SA LABORATOIRE ROGER BELLON (FR) 1990-04-17 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-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE2, BACE1, PSEN2 CTSS 354/4885CTSK 557/4885BACE1 2/4885
US-20040121947-A1 Compounds which inhibit beta-secretase activity and methods of use thereof BACE2, BACE1, PSEN2 CTSS 287/4885CTSK 561/4885BACE1 2/4885

“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.