SCHEMBL6035802

SCHEMBL6035802

COc1cccc(CC(=O)O)c1OCCCc1cn(-c2ccc(NS(C)(=O)=O)cn2)nc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
CYP17A1 P05093 1/20 0.35
ALOX12 P18054 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G4A P47712 1/20 0.33
FABP5 Q01469 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FABP4 P15090 1/20 0.32

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
SCHEMBL6034706 0.89 PPARG (0.43) PPARGALDH1A1TAS2R8SCN9AMEN1
SCHEMBL6035790 0.89 PPARG (0.43) PPARGALDH1A1TAS2R8MAPTSCN9A
SCHEMBL6035542 0.88 PPARG (0.42) PPARGALDH1A1TAS2R8MAPTSCN9A
SCHEMBL6036343 0.87 PPARG (0.45) PPARGALDH1A1SCN9A
SCHEMBL6035646 0.87 PPARG (0.45) PPARGALDH1A1TAS2R8SCN9A
SCHEMBL6035678 0.86 PPARG (0.44) PPARGALDH1A1SCN9AFABP5FABP4
SCHEMBL6035644 0.86 PPARG (0.44) PPARGALDH1A1KDM4EMAPTSCN9A
SCHEMBL6034591 0.86 PPARG (0.51) PPARGALDH1A1KDM4ESCN9AFABP5
SCHEMBL6034683 0.86 PPARG (0.41) PPARGALDH1A1TAS2R8MAPTMEN1
SCHEMBL6035846 0.86 PPARG (0.44) PPARGALDH1A1KDM4EMAPTSCN9A

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 1037/4885CYP17A1 106/4885ALOX12 901/4885

“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.