SCHEMBL8290298

SCHEMBL8290298

CC(C)(C)OC(=O)N[C@H]1CCCCCCCCCC[C@@H](C(=O)C(N)=O)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PLG P00747 1/20 0.32
▸ BACE1 P56817 3/20 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
SCHEMBL13685052 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL7858719 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL8048356 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL13685318 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL16315715 0.94 GAA (0.35) F2F10PRSS1GAAPLG
SCHEMBL16349581 0.94 GAA (0.35) F2F10PRSS1GAAPLG
SCHEMBL16349734 0.94 GAA (0.35) F2F10PRSS1GAAPLG
SCHEMBL13685751 0.92 F2 (0.32) F2F10PRSS1GAABACE1
SCHEMBL8290536 0.90 GAA (0.33) F2F10PRSS1GAAPLG
SCHEMBL13685100 0.88 F2 (0.33) F2F10PRSS1GAAPLG

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-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
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
WO-2006113942-A2 METHOD OF INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-10-26 — — 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 F2 490/4885F10 2635/4885PRSS1 5/4885

“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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