SCHEMBL8162555

SCHEMBL8162555

CC1(S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCCNC(=O)N2C[C@H](O)C[C@H]2C(=O)N3)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ CTSB P07858 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
SCHEMBL12731025 0.87 CYP3A4 (0.41) CYP3A4CTSB
SCHEMBL13502624 0.87 CTSB (0.39) CYP3A4CTSB
SCHEMBL12023496 0.87 CYP3A4 (0.38) CYP3A4CTSB
SCHEMBL8383007 0.87 CYP3A4 (0.40) CYP3A4CTSB
SCHEMBL19255358 0.86 CYP3A4 (0.41) CYP3A4CTSB
SCHEMBL12844263 0.83 CYP3A4 (0.39) CYP3A4CTSB
SCHEMBL7873797 0.83 CYP3A4 (0.39) CYP3A4CTSB
SCHEMBL16024411 0.83 CYP3A4 (0.41) CYP3A4CTSB
SCHEMBL3521616 0.82 — —
SCHEMBL13071382 0.82 CYP3A4 (0.39) CYP3A4CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111396-B1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES JANSSEN R & D IRELAND (IE) 2013-08-07 — — EP disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 — — US disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 — — US disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 — — EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 — — US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — US disclosed
WO-2008096001-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 — — WO disclosed
WO-2007014922-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-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 CYP3A4 41/4885CTSB 372/4885
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 CYP3A4 51/4885CTSB 3457/4885

“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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