SCHEMBL8289985

SCHEMBL8289985

CC(C)(C)C[C@H](OC(=O)N[C@H]1CC(=O)OC1O)C(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.45
CTSK P43235 4/20 0.45
CASP1 P29466 3/20 0.35
CASP3 P42574 5/20 0.35
CTSL P07711 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP2 P42575 1/20 0.34
CASP7 P55210 1/20 0.33
RAB9A P51151 1/20 0.32
RECQL P46063 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
SCHEMBL8289701 0.82 CTSS (0.48) CTSSCTSKCASP3CTSL
SCHEMBL14355739 0.69 CTSS (0.40) CTSSCTSKCASP1CASP3CTSL
SCHEMBL8288627 0.69 CTSS (0.41) CTSSCTSKCASP1CASP3CTSL
SCHEMBL5128920 0.68 CTSS (0.48) CTSSCTSKCTSLUSP2SMN1; SMN2
SCHEMBL8289728 0.68 CTSS (0.48) CTSSCTSKCTSLUSP2SMN1; SMN2
SCHEMBL5122570 0.67 CTSS (0.49) CTSSCTSKCASP1CTSL
SCHEMBL5126116 0.67 CTSS (0.47) CTSSCTSKCTSLUSP2SMN1; SMN2
SCHEMBL13349502 0.65 CTSS (0.79) CTSSCTSKCTSL
SCHEMBL14288634 0.65 CTSS (0.56) CTSSCTSKCASP1CASP3CTSL
SCHEMBL6651574 0.65 SMN1; SMN2 (0.49) CTSSCTSKUSP2SMN1; SMN2RAB9A

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 9/4885CASP1 423/4885

“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.