SCHEMBL14288643

SCHEMBL14288643

O=C1C[C@H](NC(=O)[C@H](CC2CCCC2)NS(=O)(=O)c2cccc(OC(F)(F)F)c2)C(O)O1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.43
CASP1 P29466 18/20 0.42
CASP7 P55210 15/20 0.42
CASP6 P55212 14/20 0.42
CASP8 Q14790 13/20 0.42

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
SCHEMBL14288639 0.99 CASP3 (0.42) CASP3CASP1CASP7CASP6CASP8
SCHEMBL8287667 0.83 CASP3 (0.43) CASP3CASP1CASP7CASP6CASP8
SCHEMBL5131788 0.80 KAT6A (0.43)
SCHEMBL5131791 0.80 KAT6A (0.43)
SCHEMBL14288646 0.75 CTSS (0.39)
SCHEMBL8287670 0.74 CASP1 (0.51) CASP3CASP1CASP7CASP6CASP8
SCHEMBL4798085 0.74 CTSS (0.63)
SCHEMBL6690263 0.74 CTSS (0.47)
SCHEMBL4798105 0.74 CTSS (0.63)
SCHEMBL4798093 0.74 CTSS (0.63)

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 4 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

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 CASP3 435/4885CASP1 423/4885CASP7 539/4885

“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.