SCHEMBL1634795

SCHEMBL1634795

CCC(CC)c1nn(-c2ccc(Br)cn2)cc1CCCOc1c(CC(=O)O)cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
SCN9A Q15858 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FPR1 P21462 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PDE4D Q08499 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6035644 0.92 PPARG (0.44) PPARGSCN9ANPC1GAAPKM
SCHEMBL6035553 0.92 PPARG (0.33) PPARGRAB9AKDM4E
SCHEMBL1633621 0.90 PPARG (0.48) PPARGSCN9AFPR1TAAR1EGLN1
SCHEMBL6035205 0.90 PTGER4 (0.34) PPARGPTGER4PTGER3PTGER2
SCHEMBL1634394 0.88 PPARG (0.40) PPARGSCN9ASMN1; SMN2KDM4E
SCHEMBL6216367 0.88 PTPN1 (0.33) PPARGSCN9ANPC1GAAPKM
SCHEMBL6035882 0.86 PPARG (0.41) PPARGSCN9ANPC1GAAPKM
SCHEMBL6218384 0.85 PPARG (0.33) PPARG
SCHEMBL6035438 0.84 PPARG (0.34) PPARGRAB9AKDM4E
SCHEMBL6034568 0.84 PPARG (0.42) PPARGGAAMEN1KMT2AKDM4E

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 10 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 claimed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP claimed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO claimed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO claimed
US-7932289-B2 Remedy for diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-26 US disclosed
US-20080319077-A1 Remedy for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-12-25 US disclosed
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 (2 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-20080319077-A1 Remedy for Diabetes GPR119, GLP1R, GPR65 PPARG 38/4885SCN9A 2795/4885NPC1 1075/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARG 1037/4885SCN9A 2020/4885NPC1 565/4885

“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.