SCHEMBL5028808

SCHEMBL5028808

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
PPARD Q03181 5/20 0.51
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 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
SCHEMBL5028810 1.00 PPARA (0.51) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL14285180 1.00 PPARA (0.51) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL5361601 0.89 PPARA (0.50) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL14285167 0.85 ACACB (0.53) PPARAPPARGPPARD
SCHEMBL14285179 0.85 ACACB (0.53) PPARAPPARGPPARD
SCHEMBL14855513 0.84 FFAR1 (0.51) PPARAPPARGPPARDSMN1; SMN2LTA4H
SCHEMBL5358773 0.83 LMNA (0.55) PPARAPPARGPPARDALDH1A1ALOX15
SCHEMBL5355177 0.83 LTA4H (0.67) PPARAPPARGPPARDSMN1; SMN2LTA4H
SCHEMBL5374934 0.83 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL4455242 0.83 LDHA (0.59) PPARAPPARGPPARDALDH1A1

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 9 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
EP-1697306-B1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-07-25 EP disclosed
EP-1697306-B1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-07-25 EP 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-20070066683-A1 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1697306-A1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005061441-A1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-07 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-20070066683-A1 Selective peroxisome proliferator activated receptor modulators PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885

“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.