SCHEMBL4843882

SCHEMBL4843882

COc1cc(COc2nn(-c3ccccc3)cc2C=CP(=O)(O)O)ccc1OCc1nc(-c2cccc(O)c2)oc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
KDR P35968 1/20 0.39
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
FFAR1 O14842 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4843867 1.00 PPARG (0.40) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4845738 0.95 PPARG (0.43) PPARGPPARAKDRMAPTPTPN2
SCHEMBL4845730 0.95 PPARG (0.43) PPARGPPARAKDRMAPTPTPN2
SCHEMBL4845500 0.91 PPARG (0.39) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4845446 0.91 PPARG (0.39) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4845492 0.91 PPARG (0.39) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4845455 0.91 PPARG (0.39) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4852158 0.91 PPARG (0.40) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4852174 0.91 PPARG (0.40) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4853790 0.91 PPARG (0.43) PPARGPPARAKDRMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PPARG 536/4885PPARA 519/4885KDR 2335/4885

“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.