SCHEMBL8290545

SCHEMBL8290545

CCCNC(=O)C(=O)[C@@H]1CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 7/20 0.33
▸ BACE1 P56817 7/20 0.33
▸ PLG P00747 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 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
SCHEMBL12856082 1.00 CTSD (0.33) CTSDBACE1PLGGAAEPHX1
SCHEMBL13685100 0.94 F2 (0.33) CTSDBACE1PLGGAAEPHX1
SCHEMBL8289304 0.91 F2 (0.32) BACE1PLGGAAF2F10
SCHEMBL8034474 0.91 F2 (0.32) BACE1PLGGAAF2F10
SCHEMBL8290280 0.89 BACE1 (0.31) BACE1PLGGAAF2F10
SCHEMBL8050876 0.89 BACE1 (0.31) BACE1PLGGAAF2F10
SCHEMBL8290536 0.89 GAA (0.33) BACE1PLGGAAEPHX1F2
SCHEMBL12608057 0.89 SIRT2 (0.30) —
SCHEMBL16349734 0.88 GAA (0.35) BACE1PLGGAAF2F10
SCHEMBL16349581 0.88 GAA (0.35) BACE1PLGGAAF2F10

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 2 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
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 CTSD 108/4885BACE1 392/4885PLG 359/4885

“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.

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