SCHEMBL5132365

SCHEMBL5132365

CCO[C@]1(NC(=O)OCc2ccccc2)CCC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.43
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSK P43235 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP1 P29466 2/20 0.39
CASP3 P42574 2/20 0.39

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
SCHEMBL9667937 0.78 CTSB (0.44) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL9668190 0.78 DDB1 (0.45) CTSBCTSSCTSLSMN1; SMN2ALDH1A1
SCHEMBL1398922 0.74 CTSB (0.45) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL14751533 0.72 CTSS (0.58) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL16219332 0.72 CTSL (0.52) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL22041768 0.71 CTSS (0.50) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL14743992 0.71 CTSL (0.54) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL18033935 0.71 CTSB (0.49) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL2913795 0.71 CTSS (0.55) CTSBCTSSCTSLSMN1; SMN2LMNA
SCHEMBL15967719 0.70 DDB1 (0.50) ALDH1A1NPC1RAB9ADDB1CRBN

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-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
EP-1677782-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-07-12 EP disclosed
US-20050130959-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-06-16 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 (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 CTSB 2/4885CTSS 1/4885CTSL 11/4885
US-20050130959-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSB 2/4885CTSS 1/4885CTSL 11/4885

“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.