SCHEMBL5364836

SCHEMBL5364836

CO[C@@H](Cc1cccc(OC(C)(C)C(=O)NCCc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
CNR1 P21554 6/20 0.43
CNR2 P34972 2/20 0.43
METAP2 P50579 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
CTSD P07339 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR2 P21452 1/20 0.40
PTGDR Q13258 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5358154 0.90 TRPV1 (0.48) HPGDCNR1CNR2TRPV1PPARA
SCHEMBL5358807 0.89 CNR1 (0.46) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5364083 0.87 TACR2 (0.40) CNR1CNR2TRPV1PPARAPPARG
SCHEMBL5364230 0.82 PPARA (0.43) CNR1PPARAPPARGKMT2A
SCHEMBL6149805 0.82 HPGD (0.51) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5364805 0.81 PPARG (0.51) PLAAT3PLAAT5PLAAT2PLAAT4PPARA
SCHEMBL5356938 0.81 TRPV1 (0.47) HPGDCNR1CNR2TRPV1PPARA
SCHEMBL5353980 0.81 CNR1 (0.48) CNR1CNR2TRPV1PPARAPPARG
SCHEMBL5354670 0.79 PPARA (0.53) PPARAPPARGTACR2
SCHEMBL5358284 0.78 PPARA (0.45) PPARAPPARGTACR2

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 HPGD 539/4885PLAAT3 372/4885PLAAT5 513/4885

“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.