SCHEMBL4851972

SCHEMBL4851972

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2C=CP(=O)(O)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.36
PPARA Q07869 18/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4851896 1.00 PPARG (0.36) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4843713 0.91 PPARG (0.42) PPARGPPARA
SCHEMBL4843699 0.91 PPARG (0.42) PPARGPPARA
SCHEMBL4845585 0.90 PPARG (0.38) PPARGPPARAKDM4EALDH1A1
SCHEMBL4854532 0.87 PPARG (0.47) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4845589 0.87 PPARG (0.47) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4845581 0.87 PPARG (0.47) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4853711 0.86 PPARG (0.41) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4853699 0.86 PPARG (0.41) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4852262 0.82 PPARG (0.46) PPARGPPARAKDM4EALDH1A1GAA

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 519/4885KDM4E 719/4885

“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.