SCHEMBL6034587

SCHEMBL6034587

COc1cccc(CC(=O)O)c1OCCCc1cn(-c2ccc(C#N)nn2)nc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PANK3 Q9H999 4/20 0.36
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLS O94925 1/20 0.32
ACMSD Q8TDX5 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31

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
SCHEMBL6035504 0.89 PPARG (0.47) PPARGSCN9AALDH1A1GLSPTGER4
SCHEMBL6034788 0.87 PPARG (0.43) PPARGPANK3SCN9AALDH1A1
SCHEMBL1634152 0.86 PPARG (0.43) PPARGSCN9AALDH1A1GLS
SCHEMBL6034618 0.85 PPARG (0.46) PPARGSCN9AALDH1A1
SCHEMBL6035646 0.84 PPARG (0.45) PPARGSCN9AALDH1A1PTGER4PTGER3
SCHEMBL6036343 0.84 PPARG (0.45) PPARGSCN9AALDH1A1
SCHEMBL6036165 0.83 PPARG (0.46) PPARGSCN9AALDH1A1PTGER4PTGER3
SCHEMBL6035644 0.83 PPARG (0.44) PPARGSCN9AALDH1A1PTGER4PTGER3
SCHEMBL6035678 0.83 PPARG (0.44) PPARGSCN9AALDH1A1PTGER4PTGER3
SCHEMBL6034591 0.83 PPARG (0.51) PPARGSCN9AALDH1A1

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 1037/4885PANK3 4579/4885SCN9A 2020/4885

“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.