SCHEMBL5360187

SCHEMBL5360187

CO[C@@H](Cc1cccc(OC(C)(C)C(=O)NC2CCC(C(C)(C)C)CC2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
HSD11B1 P28845 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
PPARG P37231 6/20 0.37
PPARA Q07869 6/20 0.37
PPARD Q03181 3/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
HSD11B2 P80365 1/20 0.36
CACNA1H O95180 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ENPP2 Q13822 1/20 0.35

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
SCHEMBL5365702 0.88 HSD11B1 (0.45) CTSDHSD11B1PPARGPPARAPPARD
SCHEMBL3962837 0.85 SMN1; SMN2 (0.50) CTSDSIGMAR1CNR1CNR2LMNA
SCHEMBL3962843 0.85 SMN1; SMN2 (0.50) CTSDSIGMAR1CNR1CNR2LMNA
SCHEMBL3964565 0.85 SMN1; SMN2 (0.50) CTSDSIGMAR1CNR1CNR2LMNA
SCHEMBL6149560 0.83 CTSD (0.41) CTSDSIGMAR1PPARGPPARAPPARD
SCHEMBL5358284 0.77 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL5354670 0.74 PPARA (0.53) PPARGPPARA
SCHEMBL14501959 0.74 LMNA (0.50) PPARGPPARAPPARDLMNAHTT
SCHEMBL3959968 0.74 LMNA (0.50) PPARGPPARAPPARDLMNAHTT
SCHEMBL3959969 0.74 LMNA (0.50) PPARGPPARAPPARDLMNAHTT

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 12 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 claimed
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
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 CTSD 4162/4885CHRM2 1079/4885CHRM1 1245/4885

“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.