SCHEMBL14288646

SCHEMBL14288646

CC(C)(C)OC(=O)C[C@@H](CO)NC(=O)[C@H](CC1CCCC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.39
CTSL P07711 10/20 0.39
CTSK P43235 8/20 0.39
USP30 Q70CQ3 3/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL14288647 0.83 CTSD (0.35) CTSSCTSLCTSKUSP30HDAC8
SCHEMBL14288645 0.83 CTSD (0.36) CTSSCTSLCTSKUSP30
SCHEMBL5131788 0.79 KAT6A (0.43) CTSSCTSLCTSKUSP30HDAC8
SCHEMBL5131791 0.79 KAT6A (0.43) CTSSCTSLCTSKUSP30HDAC8
SCHEMBL4798085 0.77 CTSS (0.63) CTSSCTSLCTSK
SCHEMBL4798105 0.77 CTSS (0.63) CTSSCTSLCTSK
SCHEMBL4798093 0.77 CTSS (0.63) CTSSCTSLCTSK
SCHEMBL14288643 0.75 CASP3 (0.43)
SCHEMBL6690263 0.74 CTSS (0.47) CTSSCTSLCTSK
SCHEMBL14288639 0.74 CASP3 (0.42) CTSSCTSLCTSK

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 CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.