SCHEMBL5364083

SCHEMBL5364083

CO[C@@H](Cc1cccc(OC(C)(C)C(=O)NCCc2c(Cl)cccc2Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.40
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
TRPV1 Q8NER1 1/20 0.40
CNR1 P21554 5/20 0.40
CNR2 P34972 2/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
PPARD Q03181 2/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5358807 0.89 CNR1 (0.46) TACR2PPARGPPARATRPV1CNR1
SCHEMBL5364836 0.87 HPGD (0.46) TACR2PPARGPPARATRPV1CNR1
SCHEMBL5364230 0.85 PPARA (0.43) PPARGPPARACNR1PLA2G10PLA2G2A
SCHEMBL5364805 0.85 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL5354670 0.82 PPARA (0.53) TACR2PPARGPPARA
SCHEMBL5364799 0.81 PPARA (0.47) PPARGPPARATRPV1CNR1CNR2
SCHEMBL6149147 0.81 PPARG (0.42) PPARGPPARACNR1PPARDCA1
SCHEMBL5353980 0.80 CNR1 (0.48) PPARGPPARATRPV1CNR1CNR2
SCHEMBL5358284 0.78 PPARA (0.45) TACR2PPARGPPARAPPARDBCL9
SCHEMBL5358154 0.76 TRPV1 (0.48) PPARGPPARATRPV1CNR1CNR2

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 14 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-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP 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-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP 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
US-6683090-B1 N-(1-AZABICYCLO(2.2.2)OCT-3-YL)PROPENAMIDE DERIVATIVES; PSYCHOTIC AND INTELLECTUAL IMPAIRMENT DISORDERS ASTRAZENECA AB (SE) 2004-01-27 US 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 TACR2 971/4885PPARG 1/4885PPARA 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.