SCHEMBL13502724

SCHEMBL13502724

CCOC(=O)[C@@]12C[C@@H]1/C=C\CCCCN(C)C(=O)[C@@H]1CCC[C@H]1C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.37
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL8166808 0.89 CTSB (0.41) CTSBCTSS
SCHEMBL12040461 0.86 CTSB (0.42) CTSBCTSS
SCHEMBL8286269 0.86 CTSB (0.42) CTSBCTSS
SCHEMBL12023453 0.86 CTSB (0.42) CTSBCTSS
SCHEMBL996664 0.84 CTSB (0.41) CTSBCTSS
SCHEMBL13502613 0.84 CTSB (0.41) CTSBCTSS
SCHEMBL996662 0.84 CTSB (0.41) CTSBCTSS
SCHEMBL13929757 0.81 CTSB (0.32) CTSBCTSSHSD17B10
SCHEMBL8075358 0.80 CTSB (0.31) CTSB
SCHEMBL16510294 0.80 CTSB (0.47) 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-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — 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-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 CTSB 3457/4885CTSS 2129/4885POLB 2195/4885

“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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