SCHEMBL13385446

SCHEMBL13385446

C=C[C@@H]1C[C@]1(NC(=O)C1C[C@@H](Oc2cc(-c3nc(C(C)C)cs3)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.42
PPP3CB P16298 1/20 0.42
CYP3A4 P08684 1/20 0.42
CTSS P25774 1/20 0.32
MCL1 Q07820 6/20 0.32
ABCC1 P33527 1/20 0.32
ABCC2 Q92887 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
P2RX3 P56373 1/20 0.31
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
SCHEMBL8250301 1.00 CTSB (0.42) CTSBPPP3CBCYP3A4CTSSMCL1
SCHEMBL12383126 0.92 CTSB (0.35) CTSBPPP3CBCYP3A4CTSSMCL1
SCHEMBL11888411 0.92 ABCC1 (0.37) CTSBPPP3CBCYP3A4CTSSMCL1
SCHEMBL7936992 0.91 CTSB (0.48) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL14095423 0.90 CYP3A4 (0.43) CTSBPPP3CBCYP3A4MCL1ABCC1
SCHEMBL8242872 0.89 CTSB (0.48) CTSBPPP3CBCYP3A4CTSSMCL1
SCHEMBL2215312 0.89 CTSB (0.48) CTSBPPP3CBCYP3A4CTSSMCL1
SCHEMBL12358243 0.89 CTSB (0.40) CTSBPPP3CBCYP3A4CTSS
SCHEMBL13385384 0.89 CTSB (0.50) CTSBPPP3CBCYP3A4MCL1ABCC1
SCHEMBL12035180 0.89 CTSB (0.50) CTSBPPP3CBCYP3A4MCL1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 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 (1 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CTSB 404/4885PPP3CB 1055/4885CYP3A4 1186/4885

“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.