SCHEMBL2348436

SCHEMBL2348436

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
CTSS P25774 4/20 0.50
PPARG P37231 2/20 0.48
KLK5 Q9Y337 3/20 0.47
SYK P43405 1/20 0.45
ATM Q13315 1/20 0.45
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
KLK7 P49862 1/20 0.43
REN P00797 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
RAB9A P51151 1/20 0.42
ACE P12821 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41

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
SCHEMBL2348535 0.92 PPARA (0.52) PPARACTSSPPARGKLK5SYK
SCHEMBL2362839 0.87 CTSS (0.48) PPARACTSSPPARGKLK5SYK
SCHEMBL16931255 0.87 PPARA (0.50) PPARACTSSPPARGKLK5SYK
SCHEMBL14562993 0.86 PPARA (0.50) PPARACTSSPPARGKLK5SYK
SCHEMBL29401143 0.85 PPARA (0.51) PPARACTSSPPARGKLK5SYK
SCHEMBL2350194 0.85 PPARA (0.51) PPARACTSSPPARGKLK5SYK
SCHEMBL2347762 0.85 PPARA (0.47) PPARACTSSPPARGKLK5SYK
SCHEMBL3625314 0.84 PPARA (0.45) PPARACTSSPPARGKLK5SYK
SCHEMBL3626345 0.82 PPARA (0.43) PPARACTSSPPARGKLK5SYK
SCHEMBL7338282 0.82 PPARA (0.65) PPARACTSSPPARGKLK5SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125829-B1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-01-16 EP disclosed
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
US-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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 (3 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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES OPRM1, OPRK1, OPRD1 PPARA 3049/4885CTSS 2396/4885PPARG 3461/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 PPARA 2181/4885CTSS 2405/4885PPARG 2411/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 PPARA 1290/4885CTSS 1068/4885PPARG 1149/4885

“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.