SCHEMBL3594673

SCHEMBL3594673

CC(C)(C)OC(=O)N1CCC(CCOc2nc(S(C)(=O)=O)nc(Cl)c2C(=O)NCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
GPR119 Q8TDV5 9/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 2/20 0.44
CTSL P07711 1/20 0.44
STS P08842 1/20 0.43
SCN9A Q15858 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL3596184 0.87 PPARG (0.49) LMNAKDM4EPKMGPR119TDP1
SCHEMBL3598280 0.86 CTSL (0.58) LMNAKDM4EPKMGPR119TDP1
SCHEMBL3590357 0.78 GPR119 (0.43) GPR119SCN9A
SCHEMBL3594522 0.74 GPR119 (0.53) GPR119SCN9A
SCHEMBL3596107 0.73 CTSL (0.82) CTSL
SCHEMBL5266529 0.70 KDM4E (0.61) LMNAKDM4EPKMGPR119TDP1
SCHEMBL2158159 0.69 GPR119 (0.65) KDM4EPKMGPR119STS
SCHEMBL785861 0.69 KDM4E (0.60) LMNAKDM4EPKMGPR119TDP1
SCHEMBL27947188 0.69 KDM4E (0.54) LMNAKDM4EPKMGPR119TDP1
SCHEMBL12804554 0.69 NPSR1 (0.68) LMNAKDM4EPKMGPR119TDP1

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 LMNA 1243/4885KDM4E 3038/4885PKM 2245/4885

“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.