SCHEMBL4897917

SCHEMBL4897917

Cc1sc(N2CCOCC2)nc1CCOc1ccc(CCC(=O)O)c(C(O)C(=O)NC2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.61
PPARA Q07869 8/20 0.61
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPARD Q03181 2/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
EPHX2 P34913 2/20 0.36
LRRK2 Q5S007 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 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
SCHEMBL4897907 0.85 PPARG (0.66) PPARGPPARAHTTALDH1A1LMNA
SCHEMBL4896009 0.85 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL4893534 0.79 PPARG (0.71) PPARGPPARAPPARDLRRK2
SCHEMBL4889072 0.79 PPARG (0.71) PPARGPPARAPPARDLRRK2
SCHEMBL4888247 0.79 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL14111140 0.78 PPARG (0.75) PPARGPPARANPC1RAB9APPARD
SCHEMBL4887480 0.78 PPARG (0.64) PPARGPPARAPPARDLRRK2
SCHEMBL5351329 0.77 PPARG (0.43) PPARGPPARAHTTALDH1A1LMNA
SCHEMBL4896308 0.77 PPARG (0.67) PPARGPPARAALDH1A1PPARDLRRK2
SCHEMBL5729574 0.77 PPARG (0.78) PPARGPPARAPPARD

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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885HTT 3471/4885

“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.