SCHEMBL7936003

SCHEMBL7936003

C=CCCCCN(C)C(=O)[C@@H]1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
ADRB3 P13945 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CTSB P07858 1/20 0.30
PPP3CB P16298 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
SCHEMBL18768644 1.00 CTSS (0.42) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL14821901 0.98 CTSS (0.43) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL18768476 0.95 CTSS (0.43) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL14457549 0.95 CTSS (0.43) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL18768477 0.95 CTSS (0.43) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL7934082 0.95 CTSS (0.43) CTSSADRB3ADRA2BADRA2CCTSB
SCHEMBL13352032 0.94 CTSS (0.42) CTSSADRB3ADRA2BADRA2C
SCHEMBL12224897 0.94 CTSS (0.36) CTSS
SCHEMBL11930627 0.94 CTSS (0.42) CTSSADRB3ADRA2BADRA2C
SCHEMBL19526362 0.93 CTSS (0.42) CTSSADRB3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547645-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2018-07-04 EP disclosed
US-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2018-04-05 US disclosed
EP-3239129-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2017-06-01 US disclosed
US-9586893-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals (US) 2017-03-07 US disclosed
US-8927722-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV JANSSEN PHARMACEUTICA N.V. (BE) 2015-01-06 US disclosed
US-8722892-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV JANSSEN R&D IRELAND (IE) 2014-05-13 US disclosed
US-8722892-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV JANSSEN R&D IRELAND (IE) 2014-05-13 US disclosed
EP-2382198-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2013-07-10 EP disclosed
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US disclosed
US-20120238746-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV JANSSEN SCIENCES IRELAND UC (IE) 2012-09-20 US disclosed
US-20120238746-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV JANSSEN SCIENCES IRELAND UC (IE) 2012-09-20 US disclosed
US-8212043-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV JANSSEN R&D IRELAND (IE) 2012-07-03 US disclosed
US-8212043-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV JANSSEN R&D IRELAND (IE) 2012-07-03 US disclosed
US-20110257403-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV JANSSEN PHARMACEUTICA NV 2011-10-20 US disclosed
WO-2010072742-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-07-01 WO disclosed
EP-2121674-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV TIBOTEC PHARM LTD (IE) 2010-05-12 EP disclosed
US-20100041889-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN SCIENCES IRELAND UC (IE) 2010-02-18 US disclosed
US-20100041889-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN SCIENCES IRELAND UC (IE) 2010-02-18 US disclosed
WO-2008092955-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-07 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 (6 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-20100041889-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV PREP, SPINT2, PEPD CTSS 31/4885ADRB3 4662/4885ADRA2B 4698/4885
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 CTSS 39/4885ADRB3 2178/4885ADRA2B 1691/4885
US-20120238746-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV PREP, SPINT2, PEPD CTSS 31/4885ADRB3 4662/4885ADRA2B 4698/4885
US-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV CTRC, HAVCR2, HGFAC CTSS 51/4885ADRB3 4608/4885ADRA2B 4792/4885
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 CTSS 39/4885ADRB3 2178/4885ADRA2B 1691/4885
US-20110257403-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV CPN1, PREP, CTRC CTSS 23/4885ADRB3 4598/4885ADRA2B 4577/4885

“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.