SCHEMBL826164

SCHEMBL826164

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.82
▸ CTSB P07858 1/20 0.53
▸ ADRB3 P13945 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ ADRA2C P18825 1/20 0.52

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
SCHEMBL828773 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL16981492 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL997576 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL851151 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL828774 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL10303810 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL18768649 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL828775 1.00 CTSS (0.82) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL11930623 0.95 CTSS (0.84) CTSSCTSBADRB3ADRA2BADRA2C
SCHEMBL996413 0.94 CTSS (0.74) CTSSCTSBADRB3ADRA2BADRA2C

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 — — US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 — — US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 — — US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 — — US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 — — US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 — — US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 — — US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 — — US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 — — US disclosed
EP-2937339-A1 Macrocylic inhibitors of hepatitis c virus Janssen Sciences Ireland UC (IE) 2015-10-28 — — EP 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
US-20100029715-A1 POLYMORPHIC FORMS OF A MACROCYCLIC INHIBITOR OF HCV JANSSEN SCIENCES IRELAND UC (IE) 2010-02-04 — — US disclosed
US-20100029715-A1 POLYMORPHIC FORMS OF A MACROCYCLIC INHIBITOR OF HCV JANSSEN SCIENCES IRELAND UC (IE) 2010-02-04 — — US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 — — US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 — — US disclosed
WO-2008092954-A2 POLYMORPHIC FORMS OF A MACROCYCLIC INHIBITOR OF HCV TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-07 — — WO disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 — — 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 (5 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTSS 1949/4885CTSB 3370/4885ADRB3 2852/4885
US-20100041889-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV PREP, SPINT2, PEPD CTSS 31/4885CTSB 27/4885ADRB3 4662/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS CTSS 1949/4885CTSB 3370/4885ADRB3 2852/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTSS 1949/4885CTSB 3370/4885ADRB3 2852/4885
US-20100029715-A1 POLYMORPHIC FORMS OF A MACROCYCLIC INHIBITOR OF HCV HLA-DRB1, CYP3A43, HAVCR2 CTSS 723/4885CTSB 438/4885ADRB3 2756/4885

“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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