SCHEMBL3590097

SCHEMBL3590097

C=CCOC(=O)c1cnc(C#N)nc1N(C)CC1CCC2(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.46
CTSL P07711 11/20 0.46
CTSK P43235 6/20 0.46
MELK Q14680 3/20 0.34
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3591331 0.86 CYP3A4 (0.33) CTSSCTSLCTSKMELKCYP3A4
SCHEMBL3587062 0.83 CTSS (0.55) CTSSCTSLCTSKMELK
SCHEMBL3595213 0.82 CTSS (0.44) CTSSCTSLCTSKCYP3A4
SCHEMBL3590094 0.78 CTSS (0.37) CTSSCTSLCTSKCYP3A4
SCHEMBL3590091 0.76 CTSS (0.41) CTSSCTSLCTSK
SCHEMBL3590099 0.71 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL3601980 0.70 CYP3A4 (0.36) CYP3A4
SCHEMBL5570846 0.68 CTSS (0.38) CTSSCTSLCTSKMELK
SCHEMBL3591330 0.65 CYP3A4 (0.34) CYP3A4
SCHEMBL3601302 0.64 SNCA (0.44) CYP3A4

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 1/4885CTSL 9/4885CTSK 8/4885

“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.