SCHEMBL6035644

SCHEMBL6035644

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
SCN9A Q15858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FPR1 P21462 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
PTGER4 P35408 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
SCHEMBL1634795 0.92 PPARG (0.42) PPARGSCN9ATAAR1GAANPC1
SCHEMBL6036343 0.91 PPARG (0.45) PPARGSCN9ATAAR1ALDH1A1EGLN1
SCHEMBL6035646 0.91 PPARG (0.45) PPARGSCN9ATAAR1ALDH1A1EGLN1
SCHEMBL6035438 0.91 PPARG (0.34) PPARGRAB9AKDM4E
SCHEMBL6035678 0.90 PPARG (0.44) PPARGSCN9ATAAR1ALDH1A1EGLN1
SCHEMBL6034591 0.90 PPARG (0.51) PPARGSCN9ATAAR1ALDH1A1FPR1
SCHEMBL6035846 0.89 PPARG (0.44) PPARGSCN9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6035790 0.88 PPARG (0.43) PPARGSCN9ASMN1; SMN2ALDH1A1FPR1
SCHEMBL6034788 0.88 PPARG (0.43) PPARGSCN9AALDH1A1
SCHEMBL6034706 0.88 PPARG (0.43) PPARGSCN9ANPC1RAB9ASMN1; SMN2

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-1523543-A1 IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2005-04-20 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2004009750-A1 IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-01-29 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 2020/4885TAAR1 2368/4885

“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.