SCHEMBL7936992

SCHEMBL7936992

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.48
PPP3CB P16298 1/20 0.48
CTSS P25774 1/20 0.40
CYP3A4 P08684 1/20 0.39
ABCC1 P33527 1/20 0.36
ABCC2 Q92887 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ADRB3 P13945 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
UCHL1 P09936 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
SCHEMBL9978730 0.95 CTSB (0.50) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL8242872 0.95 CTSB (0.48) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL2215312 0.95 CTSB (0.48) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL17212947 0.94 CTSB (0.44) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL1688355 0.93 CTSB (0.53) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL16021111 0.93 CTSS (0.41) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL13385446 0.91 CTSB (0.42) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL8250301 0.91 CTSB (0.42) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL9978732 0.89 CTSB (0.48) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL7873605 0.89 CTSB (0.45) CTSBPPP3CBCTSSCYP3A4ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 US disclosed
US-8754106-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-17 US disclosed
US-8741926-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-03 US disclosed
US-20130217725-A1 Macrocyclic Inhibitors Of Hepatitis C Virus MEDIVIR AB (SE) 2013-08-22 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-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-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-12-01 US disclosed
EP-2322516-A1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus Tibotec Pharmaceuticals Ltd. (IE) 2011-05-18 EP disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO 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-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 (8 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 CTSB 3370/4885PPP3CB 2809/4885CTSS 1949/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS CTSB 3370/4885PPP3CB 2809/4885CTSS 1949/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTSB 3370/4885PPP3CB 2809/4885CTSS 1949/4885
US-20130217725-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTSB 3370/4885PPP3CB 2809/4885CTSS 1949/4885
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, HCCS, CYP3A7 CTSB 3274/4885PPP3CB 2900/4885CTSS 1858/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTSB 3370/4885PPP3CB 2809/4885CTSS 1949/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS CTSB 260/4885PPP3CB 987/4885CTSS 565/4885
US-20130089520-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTSB 3370/4885PPP3CB 2809/4885CTSS 1949/4885

“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.