SCHEMBL5361601

SCHEMBL5361601

CCOC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.50
PPARG P37231 6/20 0.49
PPARD Q03181 6/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL3959851 0.89 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL5294166 0.89 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL5028810 0.89 PPARA (0.51) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL5028808 0.89 PPARA (0.51) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL14285180 0.89 PPARA (0.51) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL14560652 0.84 PPARA (0.56) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL5363966 0.83 PTPN1 (0.45) PPARAPPARGPPARDL3MBTL1
SCHEMBL5385600 0.83 PPARA (0.59) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL5380492 0.82 PPARA (0.54) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL5382747 0.82 PPARA (0.51) PPARAPPARGPPARD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321056-B2 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7321056-B2 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20070066683-A1 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066683-A1 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 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-20070066683-A1 Selective peroxisome proliferator activated receptor modulators PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885

“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.