SCHEMBL6035882

SCHEMBL6035882

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
SCN9A Q15858 1/20 0.35
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
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
P2RX3 P56373 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
KDM4E B2RXH2 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
SCHEMBL6035983 0.90 PPARG (0.48) PPARGSCN9AGAANPC1TAAR1
SCHEMBL6035756 0.90 PTGER4 (0.35) PPARGGAANPC1RAB9AEGLN1
SCHEMBL6035550 0.88 PPARG (0.40) PPARGSCN9AGAASMN1; SMN2KDM4E
SCHEMBL6035644 0.87 PPARG (0.44) PPARGSCN9AGAANPC1PKM
SCHEMBL6250714 0.87 GAA (0.35) SCN9AGAANPC1PKMNFKB1
SCHEMBL1634795 0.86 PPARG (0.42) PPARGSCN9AGAANPC1PKM
SCHEMBL6035415 0.83 PPARG (0.40) PPARGSCN9AGAATAAR1PTGER4
SCHEMBL6215454 0.80 PTPN1 (0.43) PPARGGAA
SCHEMBL6035698 0.79 ABCB1 (0.38) PPARGGAAPTGER4PTGER3PTGER2
SCHEMBL6035821 0.79 SMN1; SMN2 (0.36) PPARGNPC1RAB9ASMN1; SMN2EGLN1

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 2020/4885GAA 815/4885

“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.