SCHEMBL3596871

SCHEMBL3596871

C=CCOC(=O)Nc1c(Cl)nc(SC)nc1OCCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.37
SCN9A Q15858 1/20 0.36
CHEK2 O96017 1/20 0.35
FAAH O00519 1/20 0.35
GLS O94925 2/20 0.34
NR3C1 P04150 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3594050 0.88 GPR119 (0.38) GPR119SCN9ACHEK2FAAH
SCHEMBL3605017 0.87 GPR119 (0.39) GPR119SCN9ACHEK2FAAH
SCHEMBL3594053 0.76 GPR119 (0.39) GPR119SCN9ACHEK2FAAHKDM4E
SCHEMBL3590357 0.74 GPR119 (0.43) GPR119SCN9A
SCHEMBL3592944 0.74 GPR119 (0.40) GPR119SCN9ACHEK2FAAH
SCHEMBL3596184 0.74 PPARG (0.49) GPR119KDM4EPKM
SCHEMBL3594961 0.74 SCN9A (0.45) GPR119SCN9ACHEK2FAAHKDM4E
SCHEMBL3595498 0.73 MEN1 (0.44) KDM4E
SCHEMBL3585874 0.72 CTSL (0.57) GPR119
SCHEMBL21997258 0.68 HPGD (0.49) GPR119FAAHKDM4EPKM

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 GPR119 3165/4885SCN9A 4331/4885CHEK2 777/4885

“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.