SCHEMBL5403520

SCHEMBL5403520

COC(=O)Cc1cn(C)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)nc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.48
PPARA Q07869 18/20 0.48
FFAR1 O14842 1/20 0.45

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
SCHEMBL5407125 0.93 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL5405433 0.89 FFAR1 (0.56) PPARGPPARAFFAR1
SCHEMBL4032797 0.85 PPARG (0.52) PPARGPPARAFFAR1
SCHEMBL5403149 0.83 PPARG (0.49) PPARGPPARAFFAR1
SCHEMBL5396711 0.82 PPARG (0.47) PPARGPPARAFFAR1
SCHEMBL5403620 0.82 PPARG (0.38) PPARGPPARAFFAR1
SCHEMBL5395193 0.81 FFAR1 (0.61) PPARGPPARAFFAR1
SCHEMBL5407017 0.80 KDM4E (0.47) PPARGPPARAFFAR1
SCHEMBL5385527 0.79 PPARG (0.47) PPARGPPARAFFAR1
SCHEMBL5393169 0.79 FFAR1 (0.47) PPARGPPARAFFAR1

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.