SCHEMBL13502758

SCHEMBL13502758

O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@@H]2/C=C\CCCCCNC(=O)N2CCC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ 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
SCHEMBL15509453 0.89 CTSB (0.41) CTSBCTSS
SCHEMBL8249221 0.89 CTSB (0.41) CTSBCTSS
SCHEMBL15509451 0.89 CTSB (0.41) CTSBCTSS
SCHEMBL15509452 0.89 CTSB (0.41) CTSBCTSS
SCHEMBL7914476 0.89 CTSB (0.41) CTSBCTSS
SCHEMBL12023496 0.87 CYP3A4 (0.38) CTSBCTSS
SCHEMBL13502624 0.87 CTSB (0.39) CTSBCTSS
SCHEMBL11976283 0.86 CTSB (0.41) CTSBCTSS
SCHEMBL13082504 0.86 CTSB (0.42) CTSBCTSS
SCHEMBL11976284 0.86 CTSB (0.42) 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-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 — — US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 — — 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-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 CTSB 372/4885CTSS 942/4885

“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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