SCHEMBL4846076

SCHEMBL4846076

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
PPARG P37231 7/20 0.40
PPARA Q07869 6/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 2/20 0.40
FFAR1 O14842 1/20 0.39
CA2 P00918 2/20 0.39
CA5A P35218 2/20 0.39
CA9 Q16790 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL4849246 1.00 PTPN1 (0.42) PTPN1PTGER4PTGER2PPARGPPARA
SCHEMBL4846866 0.93 PTGER4 (0.46) PTPN1PTGER4PTGER2PPARGPPARA
SCHEMBL4846879 0.93 PTGER4 (0.46) PTPN1PTGER4PTGER2PPARGPPARA
SCHEMBL4847710 0.92 PTPN1 (0.41) PTPN1PPARGPPARACYP2C9KCNH2
SCHEMBL4852767 0.91 KDR (0.40) PTPN1PPARGPPARACYP2C9KCNH2
SCHEMBL4852752 0.91 KDR (0.40) PTPN1PPARGPPARACYP2C9KCNH2
SCHEMBL4852795 0.91 PTPN1 (0.38) PTPN1PPARGPPARACYP2C9KCNH2
SCHEMBL4852785 0.91 PTPN1 (0.38) PTPN1PPARGPPARACYP2C9KCNH2
SCHEMBL4853207 0.90 PPARG (0.48) PTPN1PPARGPPARACYP2C9KCNH2
SCHEMBL4850444 0.87 KDR (0.44) PTPN1PPARGPPARACYP2C9KCNH2

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 PTPN1 1274/4885PTGER4 2570/4885PTGER2 4130/4885

“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.