SCHEMBL5131489

SCHEMBL5131489

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nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.50
CTSL P07711 7/20 0.49
CTSK P43235 5/20 0.49
CTSB P07858 2/20 0.43
REN P00797 1/20 0.40

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
SCHEMBL27651960 0.82 CTSS (0.50) CTSSCTSLCTSKCTSBREN
SCHEMBL5122570 0.80 CTSS (0.49) CTSSCTSLCTSKCTSB
SCHEMBL28759166 0.78 CTSS (0.51) CTSSCTSLCTSKCTSBREN
SCHEMBL12196294 0.76 CTSS (0.56) CTSSCTSLCTSKCTSB
SCHEMBL12196296 0.76 CTSS (0.56) CTSSCTSLCTSKCTSB
SCHEMBL12196307 0.76 CTSS (0.53) CTSSCTSLCTSKCTSB
SCHEMBL8290883 0.75 CTSS (0.48) CTSSCTSLCTSKREN
SCHEMBL5132638 0.75 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL2163908 0.74 CTSK (0.58) CTSSCTSLCTSK
SCHEMBL12196312 0.74 CTSK (0.58) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130959-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-06-16 US claimed
US-20080021025-A1 INHIBITORS OF CATHEPSIN S LIU HONG 2008-01-24 US disclosed
US-7297714-B2 Selective in presence of at least one other cathepsin isozyme; such as (3-cyclopentyl-{[5-(3-fluoro-phenyl)-furan-2-carbonyl]-amino}-propionylamino)-4-oxo-butyric acid IRM LLC (BM) 2007-11-20 US disclosed
EP-1677782-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-07-12 EP disclosed
US-20050130959-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-06-16 US disclosed
WO-2005039496-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-05-06 WO 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 (2 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-20080021025-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20050130959-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.