SCHEMBL3590099

SCHEMBL3590099

C=CCOC(=O)c1cnc(C#N)nc1NCC1CCC2(CC1)CC2C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.48
CTSK P43235 6/20 0.46
CTSL P07711 15/20 0.45
KCNH2 Q12809 5/20 0.37

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
SCHEMBL3591335 0.86 SYK (0.34) CTSSCTSKCTSL
SCHEMBL3587063 0.84 CTSS (0.57) CTSSCTSKCTSLKCNH2
SCHEMBL3590091 0.75 CTSS (0.41) CTSSCTSKCTSLKCNH2
SCHEMBL3595213 0.73 CTSS (0.44) CTSSCTSKCTSLKCNH2
SCHEMBL3595483 0.72 CTSS (0.69) CTSSCTSKCTSLKCNH2
SCHEMBL3590097 0.71 CTSS (0.46) CTSSCTSKCTSL
SCHEMBL3590094 0.69 CTSS (0.37) CTSSCTSKCTSL
SCHEMBL5570850 0.69 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL3586488 0.68 CTSS (0.68) CTSSCTSKCTSL
SCHEMBL3601302 0.63 SNCA (0.44)

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.