SCHEMBL4852567

SCHEMBL4852567

CCc1nc(/C=C/c2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4cccc(C(=O)O)c4)oc3C)c(OC)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
TNFRSF1A P19438 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
KDR P35968 1/20 0.35
VDR P11473 1/20 0.34
PTPN7 P35236 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
FFAR1 O14842 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
SCHEMBL4852593 1.00 PPARG (0.39) PPARGPPARATNFRSF1AMAPTSMN1; SMN2
SCHEMBL4848381 0.95 PPARG (0.37) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4848387 0.95 PPARG (0.37) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4853897 0.95 PPARG (0.37) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4845777 0.92 PPARG (0.39) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4845808 0.92 PPARG (0.39) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4846885 0.92 SMN1; SMN2 (0.36) PPARGPPARAMAPTSMN1; SMN2USP2
SCHEMBL4846845 0.92 SMN1; SMN2 (0.36) PPARGPPARAMAPTSMN1; SMN2USP2
SCHEMBL4893704 0.92 PPARG (0.34) PPARGPPARAMAPTSMN1; SMN2KDR
SCHEMBL4893700 0.92 PPARG (0.34) PPARGPPARAMAPTSMN1; SMN2KDR

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 519/4885TNFRSF1A 4188/4885

“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.