SCHEMBL3238209

SCHEMBL3238209

CN(C(=O)OC(C)(C)C)c1cc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.42
CYP17A1 P05093 1/20 0.40
DRD2 P14416 1/20 0.39
MAP4K4 O95819 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HDAC1 Q13547 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
PPARG P37231 1/20 0.37
MAPKAPK2 P49137 2/20 0.37
MAPK14 Q16539 1/20 0.37
ADAMTS4 O75173 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL3245528 0.85 MMP1 (0.40) PPARACYP17A1DRD2
SCHEMBL3244256 0.84 MAP4K4 (0.40) CYP17A1MAP4K4HDAC1MAPKAPK2
SCHEMBL3241697 0.82 PDK2 (0.34) PPARAHDAC1PPARG
SCHEMBL3244819 0.78 CA2 (0.43) HDAC1
SCHEMBL3239643 0.78 CDK8 (0.39) CYP17A1HDAC1SIRT2
SCHEMBL13234660 0.75 PPARA (0.59) PPARADRD2S1PR4S1PR1S1PR3
SCHEMBL7246421 0.75 MAOB (0.44) HDAC1
SCHEMBL12260590 0.74 F10 (0.44) PPARACYP17A1DRD2PPARGMAPK14
SCHEMBL3246371 0.73 HDAC1 (0.35) HDAC1
SCHEMBL12663089 0.73 F10 (0.45) PPARACYP17A1DRD2PPARGMAPK14

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 PPARA 706/4885CYP17A1 687/4885DRD2 819/4885

“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.