SCHEMBL1104023

SCHEMBL1104023

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.56
▸ ADRB3 P13945 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CYP3A4 P08684 2/20 0.43
▸ CTSB P07858 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
SCHEMBL18021735 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL996847 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL996844 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL1101981 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL996846 1.00 CTSS (0.56) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8253638 0.95 CTSS (0.63) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2212771 0.94 CTSS (0.58) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2212772 0.94 CTSS (0.58) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12349981 0.94 CTSS (0.58) CTSSADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2212775 0.94 CTSS (0.58) CTSSADRB3ADRA2BADRA2CCYP3A4

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 32 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
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 — — US disclosed
US-20130089520-A1 Macrocyclic Inhibitors Of Hepatitis C Virus MEDIVIR AB (SE) 2013-04-11 — — US disclosed
US-8349869-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-01-08 — — US disclosed
US-8349869-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-01-08 — — US disclosed
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2012-07-05 — — US disclosed
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2012-07-05 — — US disclosed
US-8153800-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-10 — — US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 — — US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 — — 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

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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTSS 1949/4885ADRB3 2852/4885ADRA2B 3632/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS CTSS 1949/4885ADRB3 2852/4885ADRA2B 3632/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTSS 1949/4885ADRB3 2852/4885ADRA2B 3632/4885
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTSS 1949/4885ADRB3 2852/4885ADRA2B 3632/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTSS 1949/4885ADRB3 2852/4885ADRA2B 3632/4885
US-20130089520-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTSS 1949/4885ADRB3 2852/4885ADRA2B 3632/4885

“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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