SCHEMBL5361721

SCHEMBL5361721

CCO[C@@H](Cc1ccc(O[C@H](C)C(=O)NCCc2cccs2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 16/20 0.48
▸ PPARG P37231 11/20 0.48
▸ PPARD Q03181 4/20 0.44
▸ ADAM17 P78536 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL5361726 1.00 PPARA (0.48) PPARAPPARGPPARDADAM17NPC1
SCHEMBL5369659 0.90 RAB9A (0.49) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL6685635 0.90 RAB9A (0.49) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL5369666 0.90 RAB9A (0.49) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL5358907 0.84 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5364766 0.84 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL14501939 0.84 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5364761 0.84 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5352915 0.83 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL5358889 0.83 PPARA (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 — — US claimed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 — — EP claimed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 — — WO claimed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 — — WO claimed
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

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 1/4885PPARD 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.

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