SCHEMBL8281133

SCHEMBL8281133

COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c1ccccn1)C(C)(C)C)C(C)(C)C)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
ELANE P08246 1/20 0.37
CMA1 P23946 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSF Q9UBX1 1/20 0.37

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
SCHEMBL13251499 0.84 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL14012039 0.83 CTSV (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL8252626 0.83 CTSV (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL13251510 0.83 CTSV (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL8253757 0.82 CTSL (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL8250941 0.82 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL8254662 0.82 CTSL (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL8250114 0.81 ELANE (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL13251700 0.81 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL13251494 0.81 CTSV (0.41) CTSVCTSLCTSBELANECMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759499-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-07-20 US disclosed
US-7759499-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-07-20 US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 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 (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-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN CTSV 35/4885CTSL 79/4885CTSB 90/4885
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases HAVCR2, ENPEP, SERPINB1 CTSV 43/4885CTSL 54/4885CTSB 84/4885

“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.