SCHEMBL3586488

SCHEMBL3586488

N#Cc1ncc(C(=O)O)c(NCC2CCCCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.68
CTSK P43235 9/20 0.68
ASPH Q12797 2/20 0.50
KDM8 Q8N371 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RIOX2 Q8IUF8 1/20 0.50
CTSL P07711 10/20 0.49
KDM4C Q9H3R0 2/20 0.48
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL3595483 0.87 CTSS (0.69) CTSSCTSKCTSL
SCHEMBL3587063 0.83 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL3589178 0.74 CTSS (0.58) CTSSCTSKCTSL
SCHEMBL22261160 0.71 JAK3 (0.55) CTSSCTSKASPHKDM8KDM4E
SCHEMBL25421683 0.70 JAK3 (0.68) JAK2JAK1JAK3
SCHEMBL10172449 0.70 CHEK1 (0.66) ASPHKDM8KDM4ERIOX2
SCHEMBL22261420 0.69 JAK3 (0.54) CTSSCTSKASPHKDM8KDM4E
SCHEMBL23620374 0.69 JAK3 (0.47) ASPHKDM8KDM4ERIOX2KDM4C
SCHEMBL30479327 0.69 JAK3 (0.47) ASPHKDM8KDM4ERIOX2KDM4C
SCHEMBL3586485 0.69 CTSS (0.48) CTSSCTSKCTSLJAK3

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-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF CTSS 1/4885CTSK 8/4885ASPH 525/4885

“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.