SCHEMBL13337676

SCHEMBL13337676

CC(C)(C)OC(=O)NC(CC1CCC1)C(=O)C#N

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.66
CTSS P25774 9/20 0.66
AAK1 Q2M2I8 2/20 0.44
CTSL P07711 4/20 0.44
CTSB P07858 3/20 0.44
CTSH P09668 1/20 0.42
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL13592483 0.83 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL24298421 0.83 CTSK (0.64) CTSKCTSSAAK1CTSLCTSB
SCHEMBL952034 0.83 CTSK (0.64) CTSKCTSSAAK1CTSLCTSB
SCHEMBL952036 0.83 CTSK (0.64) CTSKCTSSAAK1CTSLCTSB
SCHEMBL7857628 0.83 CTSK (0.61) CTSKCTSSAAK1CTSLCTSB
SCHEMBL27978270 0.83 CTSK (0.61) CTSKCTSSAAK1CTSLCTSB
SCHEMBL29414317 0.82 CTSK (0.60) CTSKCTSSAAK1CTSLHDAC4
Water SCHEMBL266526 0.81 CTSK (0.73) CTSKCTSSAAK1CTSLCTSB
Water SCHEMBL15646368 0.81 CTSK (0.73) CTSKCTSSAAK1CTSLCTSB
SCHEMBL14272583 0.81 CTSK (0.58) CTSKCTSSAAK1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 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-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 US disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 US 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 (3 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 CTSK 160/4885CTSS 65/4885AAK1 2679/4885
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 CTSK 275/4885CTSS 103/4885AAK1 2246/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP CTSK 239/4885CTSS 366/4885AAK1 2286/4885

“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.