SCHEMBL5128920

SCHEMBL5128920

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.48
CTSK P43235 7/20 0.48
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 4/20 0.38
CTSB P07858 2/20 0.38
CTSD P07339 1/20 0.38
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5126116 0.87 CTSS (0.47) CTSSCTSKUSP2SMN1; SMN2CTSL
SCHEMBL5123159 0.84 CTSS (0.51) CTSSCTSKCTSL
SCHEMBL8289728 0.79 CTSS (0.48) CTSSCTSKUSP2SMN1; SMN2CTSL
SCHEMBL5122570 0.72 CTSS (0.49) CTSSCTSKCTSLCTSBCYP3A4
SCHEMBL3741937 0.72 CTSK (0.50) CTSSCTSKUSP2SMN1; SMN2CTSL
SCHEMBL5132638 0.72 CTSS (0.50) CTSSCTSKCTSL
SCHEMBL24214307 0.71 CTSK (0.47) CTSSCTSKCTSLCTSBCYP2C19
SCHEMBL6296123 0.71 CTSK (0.47) CTSSCTSKCTSLCTSBCYP2C19
SCHEMBL1343403 0.71 CTSK (0.47) CTSSCTSKCTSLCTSBCYP2C19
SCHEMBL13044376 0.71 CTSK (0.47) CTSSCTSKUSP2SMN1; SMN2CTSL

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 3 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-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-20050130959-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-06-16 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 (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 1/4885CTSK 9/4885USP2 553/4885
US-20050130959-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.