SCHEMBL4843717

SCHEMBL4843717

COC(=O)c1cc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=O)cc3OC)c(C)o2)ccc1OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 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
SCHEMBL4843928 0.94 PPARG (0.43) PPARGPPARAKMT2AMAPTSMN1; SMN2
SCHEMBL4847764 0.92 PPARG (0.42) PPARGPPARAKMT2AMAPTSMN1; SMN2
SCHEMBL4843821 0.88 MAPT (0.46) PPARGPPARAKMT2AMAPT
SCHEMBL4846732 0.88 SMN1; SMN2 (0.41) PPARGPPARAKMT2AMAPTSMN1; SMN2
SCHEMBL4845204 0.87 PPARG (0.42) PPARGPPARAKMT2AMAPTSMN1; SMN2
SCHEMBL4843727 0.87 VDR (0.40) PPARGPPARAKMT2AMAPTSMN1; SMN2
SCHEMBL4845536 0.86 PPARG (0.46) PPARGPPARAMAPTRXFP1PTPN2
SCHEMBL4850456 0.85 PPARG (0.44) PPARGPPARAMAPTKDM4ELMNA
SCHEMBL4853790 0.85 PPARG (0.43) PPARGPPARAMAPTSMN1; SMN2RXFP1
SCHEMBL4850617 0.84 MAPT (0.38) PPARGPPARAKMT2AMAPTSMN1; SMN2

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 519/4885KMT2A 1792/4885

“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.