SCHEMBL8188346

SCHEMBL8188346

COC(=O)[C@@H]1C2C(CN1C(=O)[C@@H](N)C(C)(C)C)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ELANE P08246 1/20 0.39
CMA1 P23946 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTSF Q9UBX1 1/20 0.39
FAP Q12884 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL25135486 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
SCHEMBL7724507 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
SCHEMBL12142684 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
SCHEMBL30705634 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
Hydrochloric Acid SCHEMBL25310545 0.99 DPP4 (0.39) DPP4DPP8DPP9CTSVCTSL
Hydrochloric Acid SCHEMBL25310550 0.99 DPP4 (0.39) DPP4DPP8DPP9CTSVCTSL
Trifluoroacetic Acid SCHEMBL30489482 0.93 CTSV (0.37) DPP4DPP8DPP9CTSVCTSL
SCHEMBL30557102 0.91 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL30556788 0.90 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL25076129 0.88 DPP4 (0.39) DPP4DPP8DPP9CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
EP-1730110-B1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2010-06-09 EP disclosed
US-20100104534-A1 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE SCHERING CORPORATION 2010-04-29 US disclosed
US-7635694-B2 For treating hepatitis C and related disorders such as HIV, AIDS (Acquired Immune Deficiency Syndrome) SCHERING CORPORATION (US) 2009-12-22 US disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
WO-2008118332-A2 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE SCHERING CORPORATION (US) 2008-10-02 WO disclosed
US-7425576-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-09-16 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142300-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
US-7186747-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-06 US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005085197-A1 CYCLOBUTENEDIONE GROUPS-CONTAINING COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-15 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 (5 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-20070142300-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN DPP4 26/4885DPP8 16/4885DPP9 25/4885
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 DPP4 23/4885DPP8 10/4885DPP9 18/4885
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB DPP4 73/4885DPP8 93/4885DPP9 193/4885
US-20100104534-A1 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE PREP, HPN, VIP DPP4 5/4885DPP8 13/4885DPP9 7/4885
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN DPP4 111/4885DPP8 68/4885DPP9 87/4885

“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.