SCHEMBL14288653

SCHEMBL14288653

CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@H](CC1CCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.53
CTSL P07711 5/20 0.53
CTSB P07858 4/20 0.53
CTSS P25774 4/20 0.53
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47

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
SCHEMBL14288649 0.93 CTSK (0.56) CTSKCTSLCTSBCTSSCASP1
SCHEMBL8289708 0.91 CTSL (0.52) CTSKCTSLCTSBCTSSCASP1
SCHEMBL14288670 0.90 CTSK (0.50) CTSKCTSLCTSBCTSS
SCHEMBL5491311 0.82 CASP3 (0.50) CASP1CASP3CASP7CASP6CASP8
SCHEMBL5496674 0.82 CASP3 (0.50) CASP1CASP3CASP7CASP6CASP8
SCHEMBL5496679 0.82 CASP3 (0.50) CASP1CASP3CASP7CASP6CASP8
SCHEMBL7331686 0.77 CTSK (0.65) CTSKCTSLCTSBCTSSCASP1
SCHEMBL7299710 0.77 CTSK (0.65) CTSKCTSLCTSBCTSSCASP1
SCHEMBL15649130 0.76 CTSK (0.60) CTSKCTSLCTSBCTSSCASP1
SCHEMBL25282430 0.76 CTSK (0.65) CTSKCTSLCTSBCTSSCASP1

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 2 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

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.