SCHEMBL3277876

SCHEMBL3277876

CN(C)N1CCCC/C=C/C2CC2([C]=O)NC(=O)C2CC(Oc3cc(-c4ccccc4)nc4cc(OC(N)=O)ccc34)CC2C1=O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.55
▸ CTSS P25774 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
SCHEMBL3277879 0.85 CTSB (0.69) CTSBCTSS
SCHEMBL13385474 0.84 CTSB (0.71) CTSBCTSS
SCHEMBL8244871 0.84 CTSB (0.71) CTSBCTSS
SCHEMBL8248465 0.81 CTSB (0.67) CTSBCTSS
SCHEMBL4594130 0.80 CTSB (0.39) CTSB
SCHEMBL13385475 0.79 CTSB (0.88) CTSBCTSS
SCHEMBL8284369 0.78 CTSB (0.72) CTSBCTSS
SCHEMBL6369435 0.77 CTSB (0.44) CTSB
SCHEMBL19093889 0.76 CTSB (0.81) CTSBCTSS
SCHEMBL12017053 0.76 CTSB (0.81) CTSBCTSS

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 2 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-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 404/4885CTSS 142/4885

“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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