SCHEMBL5360341

SCHEMBL5360341

CO[C@@H](Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
HSD17B10 Q99714 3/20 0.62
HTT P42858 1/20 0.60
ABCG2 Q9UNQ0 2/20 0.59
ALDH1A1 P00352 3/20 0.58
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 2/20 0.52
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL3964962 1.00 HPGD (0.70) HPGDHSD17B10HTTABCG2ALDH1A1
SCHEMBL24355627 0.83 HPGD (0.78) HPGDHSD17B10HTTABCG2ALDH1A1
SCHEMBL5721303 0.83 HPGD (0.57) HPGDHSD17B10HTTABCG2ALDH1A1
SCHEMBL107309 0.83 HPGD (0.81) HPGDHSD17B10HTTABCG2ALDH1A1
SCHEMBL5383385 0.81 PPARG (0.62) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5358253 0.79 PPARG (0.69) HPGDSMN1; SMN2KMT2AL3MBTL1NPC1
SCHEMBL3964579 0.79 PPARG (0.69) HPGDSMN1; SMN2KMT2AL3MBTL1NPC1
SCHEMBL5379901 0.78 PPARG (0.68) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3965041 0.77 PPARG (0.51) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3965050 0.77 PPARG (0.51) HPGDHTTSMN1; SMN2MEN1KMT2A

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 HPGD 539/4885HSD17B10 126/4885HTT 4194/4885

“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.