SCHEMBL8355281

SCHEMBL8355281

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.64
▸ CTSK P43235 2/20 0.64
▸ CTSV O60911 1/20 0.64
▸ CTSL P07711 1/20 0.64
▸ CTSB P07858 1/20 0.64
▸ ELANE P08246 1/20 0.64
▸ CMA1 P23946 1/20 0.64
▸ CTSF Q9UBX1 1/20 0.64
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41

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
SCHEMBL10226899 1.00 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8354732 1.00 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8256281 1.00 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL13688788 1.00 CTSS (0.64) CTSSCTSKCTSVCTSLCTSB
SCHEMBL13689676 0.99 CTSS (0.62) CTSSCTSKCTSVCTSLCTSB
SCHEMBL10140520 0.99 CTSS (0.62) CTSSCTSKCTSVCTSLCTSB
SCHEMBL10140639 0.99 CTSS (0.62) CTSSCTSKCTSVCTSLCTSB
SCHEMBL13689653 0.99 CTSS (0.62) CTSSCTSKCTSVCTSLCTSB
SCHEMBL10140255 0.98 CTSV (0.60) CTSSCTSKCTSVCTSLCTSB
SCHEMBL16329059 0.98 CTSV (0.60) CTSSCTSKCTSVCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 — — US disclosed
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 — — US disclosed
US-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 — — US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 — — US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 — — US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 — — US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 — — US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 — — US disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 — — US disclosed
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION 2007-01-11 — — US disclosed
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 — — US disclosed
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 — — US disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 — — 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-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor IFNAR1, IFNG, IRF3 CTSS 98/4885CTSK 140/4885CTSV 32/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CTSS 112/4885CTSK 243/4885CTSV 64/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP CTSS 366/4885CTSK 239/4885CTSV 33/4885
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same LPXN, SLC5A11, F12 CTSS 3626/4885CTSK 3140/4885CTSV 1420/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CTSS 112/4885CTSK 243/4885CTSV 64/4885

“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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