SCHEMBL6035646

SCHEMBL6035646

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL6036343 0.92 PPARG (0.45) PPARGSCN9AALDH1A1EGLN1TAAR1
SCHEMBL6035678 0.91 PPARG (0.44) PPARGSCN9AALDH1A1EGLN1PDE4D
SCHEMBL6035644 0.91 PPARG (0.44) PPARGSCN9AALDH1A1EGLN1PDE4D
SCHEMBL6034591 0.91 PPARG (0.51) PPARGSCN9AALDH1A1EGLN1PDE4D
SCHEMBL6035846 0.90 PPARG (0.44) PPARGSCN9AALDH1A1EGLN1
SCHEMBL6034788 0.89 PPARG (0.43) PPARGSCN9AALDH1A1PPARDTAS2R8
SCHEMBL6034706 0.89 PPARG (0.43) PPARGSCN9AALDH1A1TAS2R8
SCHEMBL6035790 0.89 PPARG (0.43) PPARGSCN9AALDH1A1TAS2R8
SCHEMBL1633669 0.89 PPARG (0.43) PPARGSCN9APPARDPPARATAAR1
SCHEMBL6036165 0.88 PPARG (0.46) PPARGSCN9AALDH1A1PTGER4PTGER3

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 2 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
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 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 1037/4885SCN9A 2020/4885ALDH1A1 1442/4885

“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.