SCHEMBL3554802

SCHEMBL3554802

COc1ccc2c(OC3CC4C(=O)NC(C(=O)O)CCC=CCCCCN(C)C(=O)[N+]4C3)nc(-c3cccc(F)c3)nc2c1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.32
▸ CTSB P07858 1/20 0.31
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 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
SCHEMBL3546840 0.94 CTSB (0.33) CTSSCTSB
SCHEMBL2839929 0.93 CTSS (0.32) CTSS
SCHEMBL3552360 0.93 CTSS (0.31) CTSSHCRTR1HCRTR2
SCHEMBL2833502 0.91 CTSS (0.32) CTSSCTSB
SCHEMBL2839277 0.90 CTSS (0.34) CTSSCTSB
SCHEMBL2875843 0.90 CTSS (0.33) CTSS
SCHEMBL2837887 0.87 CTSS (0.41) CTSSCTSBHCRTR1HCRTR2
SCHEMBL2838453 0.85 CTSS (0.43) CTSS
SCHEMBL2835256 0.85 KDM4E (0.36) CTSBHCRTR1HCRTR2
SCHEMBL2839721 0.84 JAK2 (0.33) CTSS

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-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 CTSS 624/4885CTSB 1213/4885HCRTR1 57/4885

“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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