SCHEMBL5360137

SCHEMBL5360137

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.55
PPARG P37231 8/20 0.55
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TBXAS1 P24557 2/20 0.45
ABCB11 O95342 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
PPARD Q03181 3/20 0.44
ADRB3 P13945 3/20 0.43

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
SCHEMBL5365685 0.90 PPARA (0.55) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL5352421 0.86 PPARA (0.48) PPARAPPARGCYP1A2CYP3A4ABCB11
SCHEMBL5324762 0.82 PPARG (0.55) PPARAPPARGPPARDADRB3
SCHEMBL5324776 0.81 PPARA (0.54) PPARAPPARGCYP1A2CYP3A4MEN1
SCHEMBL5361601 0.78 PPARA (0.50) PPARAPPARGMAPTTSHRPPARD
SCHEMBL9119394 0.78 MMP8 (0.56) PPARAPPARGMEN1KMT2APPARD
SCHEMBL14392329 0.78 MMP8 (0.56) PPARAPPARGMEN1KMT2APPARD
SCHEMBL6575581 0.78 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL5375683 0.78 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL10203542 0.77 PPARG (0.68) PPARAPPARGCYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885CYP1A2 883/4885

“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.