SCHEMBL3594598

SCHEMBL3594598

CC(C)(C)OC(=O)N1CCC(CCOc2nc(C#N)nc(NCC3CCC4(CCC4)CC3)c2NS(C)(=O)=O)CC1.c1cc2cc-2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.53
CTSS P25774 13/20 0.53
KCNH2 Q12809 7/20 0.53
CTSK P43235 2/20 0.48
GPR119 Q8TDV5 2/20 0.43
IRAK1 P51617 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL5571484 0.92 CTSL (0.56) CTSLCTSSKCNH2CTSK
SCHEMBL3594594 0.87 CTSL (0.56) CTSLCTSSKCNH2CTSKGPR119
SCHEMBL3601032 0.82 CTSL (0.63) CTSLCTSSKCNH2CTSKGPR119
SCHEMBL3603514 0.82 CTSL (0.68) CTSLCTSSKCNH2CTSKGPR119
SCHEMBL3591605 0.81 CTSL (0.81) CTSLCTSSKCNH2CTSKGPR119
SCHEMBL3585874 0.80 CTSL (0.57) CTSLCTSSKCNH2CTSKGPR119
SCHEMBL5571480 0.79 CTSL (0.58) CTSLCTSSKCNH2CTSK
SCHEMBL3585558 0.77 CTSL (0.70) CTSLCTSSKCNH2CTSKGPR119
SCHEMBL3599719 0.77 CTSL (0.62) CTSLCTSSKCNH2CTSKGPR119
SCHEMBL3596107 0.77 CTSL (0.82) CTSLCTSSKCNH2CTSK

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 CTSL 9/4885CTSS 1/4885KCNH2 3867/4885

“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.