SCHEMBL502605

SCHEMBL502605

COC(=O)c1cccc(OCc2nc3ccc(Oc4ncc(C)cc4Br)cc3n2C)c1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.71

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
SCHEMBL502954 0.92 PPARG (0.62) PPARG
SCHEMBL502569 0.92 PPARG (0.84) PPARG
SCHEMBL501710 0.91 PPARG (0.70) PPARG
SCHEMBL502904 0.91 PPARG (0.71) PPARG
SCHEMBL502713 0.91 PPARG (0.72) PPARG
SCHEMBL502836 0.90 PPARG (0.84) PPARG
SCHEMBL502706 0.88 PPARG (0.71) PPARG
SCHEMBL502592 0.88 PPARG (0.69) PPARG
SCHEMBL502727 0.88 PPARG (0.61) PPARG
SCHEMBL502725 0.87 PPARG (0.63) PPARG

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-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-08 US disclosed
EP-2615081-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-17 EP disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 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 (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-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS HPD, CYP2B6, PAH PPARG 323/4885
US-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA PPARG 2/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA PPARG 2/4885

“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.