SCHEMBL5409261

SCHEMBL5409261

COc1cc(COc2nn(-c3ccccc3)cc2CC(=O)O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.48
PPARA Q07869 14/20 0.48
FFAR1 O14842 1/20 0.46
KDM4E B2RXH2 1/20 0.44
KDR P35968 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4851310 0.91 KDR (0.49) PPARGPPARAFFAR1KDM4EKDR
SCHEMBL5393169 0.91 FFAR1 (0.47) PPARGPPARAFFAR1KDM4EKDR
SCHEMBL4849091 0.90 PPARG (0.49) PPARGPPARAFFAR1KDM4EMAPT
SCHEMBL4846783 0.90 PPARG (0.55) PPARGPPARAFFAR1KDRMAPT
SCHEMBL5398011 0.88 FFAR1 (0.45) PPARGPPARAFFAR1KDM4EKDR
SCHEMBL4848728 0.88 PPARG (0.43) PPARGPPARAFFAR1KDM4EKDR
SCHEMBL4848637 0.88 PPARG (0.51) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4850456 0.87 PPARG (0.44) PPARGPPARAFFAR1KDM4EKDR
SCHEMBL5403572 0.87 FFAR1 (0.59) PPARGPPARAFFAR1KDM4EKDR
SCHEMBL4846879 0.86 PTGER4 (0.46) PPARGPPARAFFAR1KDM4EKDR

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-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 PPARG 433/4885PPARA 301/4885FFAR1 14/4885

“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.