SCHEMBL3586485

SCHEMBL3586485

CN(c1nc(C#N)ncc1C(=O)O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.48
CTSK P43235 6/20 0.48
CTSL P07711 6/20 0.48
JAK3 P52333 5/20 0.39
LCK P06239 3/20 0.38
ALDH1A1 P00352 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
ABCC1 P33527 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL5571991 0.74 CTSS (0.59) CTSSCTSKCTSL
SCHEMBL3587062 0.72 CTSS (0.55) CTSSCTSKCTSL
SCHEMBL151125 0.72 JAK3 (0.38) CTSSCTSKCTSLJAK3TRPV1
SCHEMBL21119052 0.69 ALDH1A1 (0.51) JAK3LCKALDH1A1ABCC1MEN1
SCHEMBL3586488 0.69 CTSS (0.68) CTSSCTSKCTSLJAK3
SCHEMBL29324978 0.68 JAK3 (0.53) CTSKJAK3LCK
SCHEMBL13525134 0.67 CTSS (0.38) CTSSCTSKCTSLALDH1A1MEN1
SCHEMBL13525093 0.67 CTSS (0.38) CTSSCTSKCTSLALDH1A1MEN1
SCHEMBL13525135 0.66 CTSL (0.40) CTSSCTSKCTSL
SCHEMBL3165137 0.66 CTSL (0.40) CTSSCTSKCTSL

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 8/4885CTSL 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.