SCHEMBL8240197

SCHEMBL8240197

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)C1CCCCC1)C(=O)C(=O)NCC=C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CTSB P07858 4/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ CTSV O60911 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CELA1 Q9UNI1 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP3A7 P24462 1/20 0.37
▸ CYP3A43 Q9HB55 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
SCHEMBL8253629 0.94 ABCG2 (0.39) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL13225116 0.94 ABCG2 (0.41) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL10278126 0.94 ABCG2 (0.39) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL13225119 0.94 ABCG2 (0.38) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL13225074 0.92 CTSB (0.39) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL13225122 0.91 CTSL (0.35) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL13225118 0.91 CTSL (0.40) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL13225129 0.90 ABCG2 (0.32) ABCG2CTSBCTSLCTSSCTSV
SCHEMBL8250408 0.89 — —
SCHEMBL8246166 0.89 — —

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-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
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 — — US disclosed
WO-2006130627-A2 METHODS FOR TREATING HEPATITIS C SCHERING CORPORATION (US) 2006-12-07 — — 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 (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 ABCG2 1933/4885CTSB 193/4885CTSL 65/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP ABCG2 1112/4885CTSB 199/4885CTSL 109/4885
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same LPXN, SLC5A11, F12 ABCG2 60/4885CTSB 3661/4885CTSL 3343/4885

“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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