SCHEMBL6035542

SCHEMBL6035542

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.38
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.34
GLS O94925 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SCN9A Q15858 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
SCHEMBL6034683 0.94 PPARG (0.41) PPARGTAS2R8TP53NPC1RAB9A
SCHEMBL6034706 0.92 PPARG (0.43) PPARGTAS2R8NPC1RAB9ASMN1; SMN2
SCHEMBL6035790 0.92 PPARG (0.43) PPARGTAS2R8SMN1; SMN2GLSALDH1A1
SCHEMBL6035802 0.88 PPARG (0.42) PPARGTAS2R8SMN1; SMN2ALDH1A1MAPT
SCHEMBL6035646 0.87 PPARG (0.45) PPARGTAS2R8ALDH1A1SCN9A
SCHEMBL6036343 0.87 PPARG (0.45) PPARGALDH1A1SCN9A
SCHEMBL6034591 0.86 PPARG (0.51) PPARGALDH1A1PTGDR2SCN9A
SCHEMBL6035678 0.86 PPARG (0.44) PPARGALDH1A1SCN9A
SCHEMBL6035644 0.86 PPARG (0.44) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6035846 0.86 PPARG (0.44) PPARGSMN1; SMN2ALDH1A1LMNAMAPT

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 1 patent. 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

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 1037/4885TAS2R8 3534/4885TP53 4683/4885

“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.