SCHEMBL8289697

SCHEMBL8289697

CC(C)(C)C[C@H](OC(=O)N[C@H](/C=N/NC(N)=O)CC(=O)OC(C)(C)C)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.50
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
CTSS P25774 1/20 0.42
CTSH P09668 2/20 0.37
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8289741 0.87 CTSK (0.46) CTSKCTSLCTSBCTSS
SCHEMBL8289728 0.78 CTSS (0.48) CTSKCTSLCTSBCTSSUSP2
SCHEMBL5122570 0.74 CTSS (0.49) CTSKCTSLCTSBCTSSCTSH
SCHEMBL14288638 0.72 CTSS (0.46) CTSKCTSLCTSS
SCHEMBL5126116 0.72 CTSS (0.47) CTSKCTSLCTSBCTSSUSP2
SCHEMBL5128920 0.71 CTSS (0.48) CTSKCTSLCTSBCTSSUSP2
SCHEMBL14598492 0.69 CTSK (0.52) CTSK
SCHEMBL7411184 0.65 CTSK (0.47) CTSKCTSLCTSBCTSS
SCHEMBL7411192 0.65 CTSK (0.47) CTSKCTSLCTSBCTSS
SCHEMBL8288606 0.65 CTSS (0.55) CTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021025-A1 INHIBITORS OF CATHEPSIN S LIU HONG 2008-01-24 US disclosed
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
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
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 (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-20080021025-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSK 9/4885CTSL 11/4885CTSB 2/4885

“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.