SCHEMBL4845677

SCHEMBL4845677

Cc1oc(-c2ccccc2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.56
PPARA Q07869 12/20 0.56
FFAR1 O14842 1/20 0.54
KDR P35968 1/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL4847078 0.90 PPARG (0.55) PPARGPPARAFFAR1KDR
SCHEMBL4847086 0.90 PPARG (0.55) PPARGPPARAFFAR1KDR
SCHEMBL4844075 0.89 PPARG (0.45) PPARGPPARAFFAR1KDR
SCHEMBL4855092 0.89 PPARG (0.49) PPARGPPARAFFAR1KDR
SCHEMBL4850644 0.88 PPARG (0.52) PPARGPPARAFFAR1KDRPTPN2
SCHEMBL4850649 0.88 PPARG (0.52) PPARGPPARAFFAR1KDRPTPN2
SCHEMBL5377170 0.88 FFAR1 (0.54) PPARGPPARAFFAR1KDRPTPN2
SCHEMBL4851654 0.87 FFAR1 (0.53) PPARGPPARAFFAR1KDRPTPN2
SCHEMBL4845536 0.87 PPARG (0.46) PPARGPPARAFFAR1KDRPTPN2
SCHEMBL4844221 0.85 KDR (0.56) PPARGPPARAFFAR1KDR

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 519/4885FFAR1 771/4885

“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.