SCHEMBL2362839

SCHEMBL2362839

COCNC(=O)COC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.48
PPARA Q07869 3/20 0.47
KLK5 Q9Y337 4/20 0.45
PPARG P37231 2/20 0.44
SYK P43405 1/20 0.43
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KLK7 P49862 2/20 0.41
REN P00797 1/20 0.41
ATM Q13315 1/20 0.40
ACE P12821 1/20 0.40
MAPT P10636 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 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
SCHEMBL2348436 0.87 PPARA (0.53) CTSSPPARAKLK5PPARGSYK
SCHEMBL2348535 0.86 PPARA (0.52) CTSSPPARAKLK5PPARGSYK
SCHEMBL14562993 0.81 PPARA (0.50) CTSSPPARAKLK5PPARGSYK
SCHEMBL2350194 0.80 PPARA (0.51) CTSSPPARAKLK5PPARGSYK
SCHEMBL29401143 0.80 PPARA (0.51) CTSSPPARAKLK5PPARGSYK
SCHEMBL2347762 0.80 PPARA (0.47) CTSSPPARAKLK5PPARGSYK
SCHEMBL16931255 0.79 PPARA (0.50) CTSSPPARAKLK5PPARGSYK
SCHEMBL3625314 0.79 PPARA (0.45) CTSSPPARAKLK5PPARGSYK
SCHEMBL3626345 0.77 PPARA (0.43) CTSSPPARAKLK5PPARGSYK
SCHEMBL7338282 0.77 PPARA (0.65) CTSSPPARAKLK5PPARGSYK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008293-B2 Bicyclic oxomorpholine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-30 US disclosed
US-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US disclosed
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-06 US disclosed
EP-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 US 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 (2 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-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 CTSS 2405/4885PPARA 2181/4885KLK5 2543/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 CTSS 1068/4885PPARA 1290/4885KLK5 4207/4885

“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.