SCHEMBL4852789

SCHEMBL4852789

COc1cc(COc2nn(-c3ccc(C(F)(F)F)cc3)cc2/C(=C/C(=O)O)COC(=O)C(C)(C)C)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.39
PPARG P37231 7/20 0.39
PTPN1 P18031 3/20 0.38
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.34
KDR P35968 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
NTRK2 Q16620 1/20 0.34

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
SCHEMBL4853207 0.88 PPARG (0.48) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4852798 0.87 PSEN1 (0.39) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4855169 0.86 PPARG (0.43) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4852785 0.85 PTPN1 (0.38) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4852795 0.85 PTPN1 (0.38) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4849246 0.84 PTPN1 (0.42) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4846076 0.84 PTPN1 (0.42) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4847710 0.82 PTPN1 (0.41) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4850444 0.81 KDR (0.44) PPARAPPARGPTPN1CYP2C9KCNH2
SCHEMBL4846783 0.81 PPARG (0.55) PPARAPPARGMAPTFFAR1KDR

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 PPARA 519/4885PPARG 536/4885PTPN1 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.