SCHEMBL8250198

SCHEMBL8250198

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3nc(C(C)C)cs3)nc3cc(OC)ccc23)CN1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.36
PPP3CB P16298 1/20 0.36
CTSS P25774 1/20 0.34
CYP3A4 P08684 1/20 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
SCHEMBL8250133 1.00 CTSB (0.36) CTSBPPP3CBCTSSCYP3A4
SCHEMBL3277398 1.00 CTSB (0.36) CTSBPPP3CBCTSSCYP3A4
SCHEMBL12383127 0.91 CTSS (0.35) CTSS
SCHEMBL11888410 0.91 CTSS (0.35) CTSS
SCHEMBL10156683 0.90 CTSS (0.42) CTSBPPP3CBCTSS
SCHEMBL2449092 0.89 CTSB (0.35) CTSBPPP3CBCTSSCYP3A4
SCHEMBL11887180 0.89 CTSB (0.35) CTSBPPP3CBCTSSCYP3A4
SCHEMBL13385448 0.88 CTSS (0.35) CTSS
SCHEMBL2212114 0.88 CTSB (0.41) CTSBPPP3CBCTSS
SCHEMBL8248937 0.88 CTSB (0.41) CTSBPPP3CBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-08-21 US disclosed
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-08-21 US disclosed
WO-2007014918-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 (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-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus HAVCR2, HCCS, CYP7A1 CTSB 1153/4885PPP3CB 627/4885CTSS 835/4885
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, NR5A1, NR0B1 CTSB 2871/4885PPP3CB 1244/4885CTSS 3146/4885

“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.