SCHEMBL6899564

SCHEMBL6899564

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.65
CTSK P43235 7/20 0.65
ACE P12821 3/20 0.63
CTSB P07858 3/20 0.50
CTSL P07711 1/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
CACNA1B Q00975 1/20 0.47
REN P00797 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
AKT1 P31749 1/20 0.44
CA2 P00918 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL6899281 0.89 CTSS (0.60) CTSSCTSKACECTSBCTSL
SCHEMBL975347 0.89 CTSS (0.63) CTSSCTSKACECTSBCTSL
SCHEMBL1791039 0.89 ACE (0.78) CTSSCTSKACECTSBCTSL
SCHEMBL7326335 0.89 ACE (0.78) CTSSCTSKACECTSBCTSL
SCHEMBL26271 0.86 CTSS (0.72) CTSSCTSKACECTSBCTSL
SCHEMBL763600 0.86 CTSS (0.72) CTSSCTSKACECTSBCTSL
SCHEMBL26270 0.86 CTSS (0.72) CTSSCTSKACECTSBCTSL
SCHEMBL13315174 0.85 CTSS (0.64) CTSSCTSKACECTSBCTSL
SCHEMBL6897591 0.85 CTSS (0.58) CTSSCTSKACECTSBCTSL
SCHEMBL21447323 0.84 CTSS (0.69) CTSSCTSKACECTSBCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 CTSS 928/4885CTSK 856/4885ACE 175/4885

“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.