SCHEMBL3249828

SCHEMBL3249828

C=CCCCOC(=O)N[C@@H](CCCC)C(=O)N1C[C@H](OC(=O)N2Cc3cccc(C=C)c3C2)C[C@H]1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.34
CYP19A1 P11511 1/20 0.32
PRCP P42785 1/20 0.31
ACE P12821 2/20 0.31
ACE2 Q9BYF1 2/20 0.31
CTSK P43235 8/20 0.31

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
SCHEMBL14610237 0.94 TGM2 (0.35) TGM2PRCPACEACE2CTSK
SCHEMBL8261927 0.88 CYP19A1 (0.32) CYP19A1
SCHEMBL13776963 0.81 TGM2 (0.31) TGM2
SCHEMBL13776960 0.80 CYP19A1 (0.31) CYP19A1
SCHEMBL4297844 0.80 CYP19A1 (0.32) CYP19A1
SCHEMBL3249473 0.80 ELANE (0.34) CYP19A1
SCHEMBL8229439 0.79 CYP19A1 (0.33) CYP19A1
SCHEMBL8261951 0.79 CYP19A1 (0.33) CYP19A1ACE
SCHEMBL12325999 0.78 DPP4 (0.32) CYP19A1
SCHEMBL3310386 0.78 ACE (0.35) TGM2ACEACE2CTSK

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
EP-1910404-B9 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-05-21 EP disclosed
EP-1910404-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8216999-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-10 US disclosed
US-8216999-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-10 US disclosed
US-8216999-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-10 US disclosed
EP-1924593-B9 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2010-02-17 EP disclosed
EP-1924593-B1 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2009-09-16 EP disclosed
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-05-14 US disclosed
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-05-14 US disclosed
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-05-14 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
EP-1924593-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-05-28 EP disclosed
EP-1910404-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 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 (2 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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC TGM2 720/4885CYP19A1 1462/4885PRCP 50/4885
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC TGM2 720/4885CYP19A1 1462/4885PRCP 50/4885

“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.