SCHEMBL10227347

SCHEMBL10227347

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5CCCCCCC[C@H](NC(=O)NC5(CS(=O)(=O)C(C)(C)C)CCCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CTSB P07858 2/20 0.35
▸ PPP3CB P16298 1/20 0.35
▸ ABCC1 P33527 1/20 0.33
▸ ABCC2 Q92887 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL14365766 0.94 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL16297890 0.93 ADRB3 (0.59) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL10227190 0.93 ADRB3 (0.59) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL10227270 0.88 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL8284936 0.88 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL14031129 0.88 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL14049361 0.88 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL10277824 0.88 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL10227348 0.88 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSBPPP3CB
SCHEMBL14438724 0.88 ADRB3 (0.45) ADRB3ADRA2BADRA2CCTSBPPP3CB

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-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-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 — — US disclosed
US-7442695-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-10-28 — — US disclosed
US-7442695-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-10-28 — — US disclosed
US-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease SCHERING CORPORATION 2007-11-08 — — US disclosed
US-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease SCHERING CORPORATION 2007-11-08 — — US disclosed
US-7253160-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-08-07 — — US disclosed
US-7253160-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-08-07 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ADRB3 1837/4885ADRA2B 2016/4885ADRA2C 2396/4885
US-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease DPP3, DPP7, DPP4 ADRB3 3738/4885ADRA2B 4407/4885ADRA2C 4161/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP ADRB3 4070/4885ADRA2B 4543/4885ADRA2C 4304/4885
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same LPXN, SLC5A11, F12 ADRB3 535/4885ADRA2B 457/4885ADRA2C 313/4885

“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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