SCHEMBL6034683

SCHEMBL6034683

CCCC(=O)Nc1ccc(-n2cc(CCCOc3c(CC(=O)O)cccc3OC)c(C(C)C)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.37
GAA P10253 1/20 0.36
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
GLS O94925 1/20 0.33

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
SCHEMBL6035542 0.94 PPARG (0.42) PPARGNPC1RAB9ATP53MAPT
SCHEMBL6035790 0.91 PPARG (0.43) PPARGMAPTTAS2R8ALDH1A1MEN1
SCHEMBL6034706 0.91 PPARG (0.43) PPARGNPC1RAB9ATAS2R8ALDH1A1
SCHEMBL6217597 0.89 NPC1 (0.38) NPC1RAB9ATP53MAPTNPSR1
SCHEMBL6035802 0.86 PPARG (0.42) PPARGMAPTTAS2R8ALDH1A1MEN1
SCHEMBL6035646 0.86 PPARG (0.45) PPARGTAS2R8ALDH1A1
SCHEMBL6036343 0.86 PPARG (0.45) PPARGALDH1A1
SCHEMBL6035678 0.85 PPARG (0.44) PPARGALDH1A1
SCHEMBL6035644 0.85 PPARG (0.44) PPARGNPC1RAB9AMAPTGAA
SCHEMBL6034591 0.85 PPARG (0.51) PPARGALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARG 1037/4885NPC1 565/4885RAB9A 4381/4885

“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.