SCHEMBL8054952

SCHEMBL8054952

C=CCN(C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC)C2(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
KLK7 P49862 4/20 0.38
KLK5 Q9Y337 4/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL12607450 0.95 CTSL (0.40) CTSLKLK7KLK5ITGB3ITGA2B
SCHEMBL8040017 0.89 ITGB3 (0.37) CTSLKLK7KLK5ITGB3ITGA2B
SCHEMBL12606642 0.82 CTSL (0.46) CTSLKLK7KLK5ALDH1A1CYP3A4
SCHEMBL13685448 0.82 CTSL (0.46) CTSLKLK7KLK5ALDH1A1CYP3A4
SCHEMBL16349775 0.82 CTSL (0.46) CTSLKLK7KLK5ALDH1A1CYP3A4
SCHEMBL13685428 0.82 CTSL (0.46) CTSLKLK7KLK5ALDH1A1CYP3A4
SCHEMBL30557021 0.81 ACE (0.49) CTSLKLK5
SCHEMBL6089700 0.80 PPARA (0.47) CTSLKLK7KLK5ALDH1A1
SCHEMBL12856084 0.80 ACE (0.54) CTSLKLK5SMN1; SMN2ITGB3ITGA2B
SCHEMBL5639596 0.79 PPARA (0.53) CTSLKLK7KLK5

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 6 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
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 EP 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-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 CTSL 67/4885KLK7 1490/4885KLK5 1091/4885

“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.