SCHEMBL4845906

SCHEMBL4845906

CCc1nc(C=Cc2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4ccc(CC(=O)O)cc4)oc3C)c(OC)c2)cs1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
PPARA Q07869 8/20 0.38
MAPT P10636 4/20 0.37
FFAR1 O14842 1/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4845883 1.00 PPARG (0.38) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4850602 1.00 PPARG (0.38) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4850196 0.95 PPARG (0.38) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4850188 0.95 PPARG (0.38) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4845777 0.94 PPARG (0.39) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4845808 0.94 PPARG (0.39) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4845356 0.94 PPARG (0.39) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4845374 0.94 PPARG (0.39) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4854132 0.93 MAPT (0.36) PPARGPPARAMAPTFFAR1KMT2A
SCHEMBL4854162 0.93 MAPT (0.36) PPARGPPARAMAPTFFAR1KMT2A

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 519/4885MAPT 4700/4885

“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.