SCHEMBL8289728

SCHEMBL8289728

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.48
CTSK P43235 8/20 0.48
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 5/20 0.38
CTSB P07858 2/20 0.38
CTSD P07339 1/20 0.38
RECQL P46063 1/20 0.33
CYP2D6 P10635 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
SCHEMBL8288606 0.84 CTSS (0.55) CTSSCTSKCTSL
SCHEMBL5128920 0.79 CTSS (0.48) CTSSCTSKUSP2SMN1; SMN2CTSL
SCHEMBL8289697 0.78 CTSK (0.50) CTSSCTSKUSP2SMN1; SMN2CTSL
SCHEMBL5126116 0.76 CTSS (0.47) CTSSCTSKUSP2SMN1; SMN2CTSL
SCHEMBL29993269 0.75 CTSL (0.53) CTSSCTSKUSP2SMN1; SMN2CTSL
SCHEMBL5122570 0.74 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL168389 0.71 CYP2D6 (0.55) CTSSCTSKCTSLCTSBCYP2D6
SCHEMBL3689498 0.71 CYP2D6 (0.55) CTSSCTSKCTSLCTSBCYP2D6
SCHEMBL29990821 0.71 CYP2D6 (0.55) CTSSCTSKCTSLCTSBCYP2D6
SCHEMBL344731 0.71 CYP2D6 (0.55) CTSSCTSKCTSLCTSBCYP2D6

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 CTSS 1/4885CTSK 9/4885USP2 553/4885

“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.