SCHEMBL8050677

SCHEMBL8050677

CC(C)(C)OC(=O)N[C@H]1CCCCCCCCCC[C@@H](C(O)C#N)NC(=O)[C@@H]2C3C(CN2C1=O)C3(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.36
▸ GAA P10253 1/20 0.33
▸ CTSK P43235 2/20 0.32
▸ CTSD P07339 2/20 0.31

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
SCHEMBL13685087 1.00 BACE1 (0.36) BACE1GAACTSKCTSD
SCHEMBL13684891 1.00 BACE1 (0.36) BACE1GAACTSKCTSD
SCHEMBL8290582 1.00 BACE1 (0.36) BACE1GAACTSKCTSD
SCHEMBL16349735 0.89 BACE1 (0.37) BACE1GAACTSD
SCHEMBL16349766 0.89 BACE1 (0.37) BACE1GAACTSD
SCHEMBL16349815 0.89 BACE1 (0.31) BACE1CTSK
SCHEMBL13685296 0.89 BACE1 (0.31) BACE1CTSK
SCHEMBL16349738 0.89 BACE1 (0.31) BACE1CTSK
SCHEMBL8291255 0.89 BACE1 (0.31) BACE1CTSK
SCHEMBL13685168 0.88 BACE1 (0.37) BACE1GAACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 — — WO disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 — — 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 (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-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN BACE1 392/4885GAA 382/4885CTSK 130/4885

“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.

Send feedback