SCHEMBL6036096

SCHEMBL6036096

CCc1cnc(-n2cc(CCCOc3c(CC(=O)O)cccc3OC)c(C(C)C)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
SCN9A Q15858 1/20 0.38
ALKBH1 Q13686 2/20 0.35
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6034618 0.88 PPARG (0.46) PPARGSCN9AALKBH1TP53MDM2
SCHEMBL6035546 0.88 PPARG (0.48) PPARGSCN9AALKBH1ALDH1A1
SCHEMBL6219899 0.87 PTPN1 (0.35) PPARGSCN9AALKBH1ALDH1A1KMT2A
SCHEMBL6035646 0.84 PPARG (0.45) PPARGSCN9APTGER4PTGER3PTGER2
SCHEMBL6036343 0.84 PPARG (0.45) PPARGSCN9AALKBH1ALDH1A1
SCHEMBL6036165 0.83 PPARG (0.46) PPARGSCN9ATP53PTGER4PTGER3
SCHEMBL6035644 0.83 PPARG (0.44) PPARGSCN9APTGER4PTGER3PTGER2
SCHEMBL6035678 0.83 PPARG (0.44) PPARGSCN9APTGER4PTGER3PTGER2
SCHEMBL6034591 0.83 PPARG (0.51) PPARGSCN9APDE4DALDH1A1
SCHEMBL6035504 0.83 PPARG (0.47) PPARGSCN9APTGER4PTGER3PTGER2

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 1037/4885SCN9A 2020/4885ALKBH1 1938/4885

“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.