SCHEMBL4853207

SCHEMBL4853207

COc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2C(=O)O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
PPARA Q07869 10/20 0.48
PTPN1 P18031 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 2/20 0.42
FFAR1 O14842 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL4855169 0.94 PPARG (0.43) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4846783 0.93 PPARG (0.55) PPARGPPARAMAPTFFAR1KDR
SCHEMBL4850444 0.90 KDR (0.44) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4849246 0.90 PTPN1 (0.42) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4846076 0.90 PTPN1 (0.42) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4847710 0.89 PTPN1 (0.41) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4852789 0.88 PPARA (0.39) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4852752 0.87 KDR (0.40) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4852767 0.87 KDR (0.40) PPARGPPARAPTPN1CYP2C9KCNH2
SCHEMBL4848637 0.87 PPARG (0.51) PPARGPPARAMAPTFFAR1KDR

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 519/4885PTPN1 1274/4885

“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.