SCHEMBL13225074

SCHEMBL13225074

C#CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC=C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 12/20 0.39
▸ CTSL P07711 6/20 0.38
▸ CTSK P43235 5/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CTSV O60911 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CELA1 Q9UNI1 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ CYP3A7 P24462 1/20 0.36
▸ CYP3A43 Q9HB55 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
SCHEMBL13225081 0.94 CTSB (0.38) CTSBCTSLCTSKABCG2CTSV
SCHEMBL10276788 0.94 CTSB (0.41) CTSBCTSLCTSKABCG2CTSV
SCHEMBL13225078 0.94 CTSB (0.38) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8240197 0.92 ABCG2 (0.39) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8252318 0.90 CTSB (0.41) CTSBCTSLCTSKABCG2CTSV
SCHEMBL13225129 0.90 ABCG2 (0.32) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8253601 0.90 CTSB (0.45) CTSBCTSLCTSKABCG2CTSV
SCHEMBL8247406 0.89 CTSB (0.38) CTSBCTSLCTSKABCG2CTSV
SCHEMBL13249274 0.89 CYP3A4 (0.38) CTSBCTSLCTSKABCG2CYP3A4
SCHEMBL13225076 0.88 CTSB (0.38) CTSBCTSLCTSKABCG2CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 — — US disclosed
US-7342041-B2 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-03-11 — — 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
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION 2007-01-11 — — 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

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-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor IFNAR1, IFNG, IRF3 CTSB 193/4885CTSL 65/4885CTSK 140/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP CTSB 199/4885CTSL 109/4885CTSK 239/4885
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same LPXN, SLC5A11, F12 CTSB 3661/4885CTSL 3343/4885CTSK 3140/4885

“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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