SCHEMBL5380436

SCHEMBL5380436

CO[C@@H](Cc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.63
PPARA Q07869 15/20 0.63
PPARD Q03181 12/20 0.63
ALOX5 P09917 1/20 0.51
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ACACB O00763 1/20 0.44

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
SCHEMBL5376017 0.97 PPARG (0.58) PPARGPPARAPPARDALOX5MCL1
SCHEMBL5379606 0.92 PPARG (0.55) PPARGPPARAPPARDALOX5MCL1
SCHEMBL5389587 0.86 PPARG (0.75) PPARGPPARAPPARDALDH1A1
SCHEMBL5389190 0.83 PPARG (0.72) PPARGPPARAPPARDALDH1A1
SCHEMBL5414199 0.83 PPARG (0.76) PPARGPPARAPPARDALOX5MCL1
SCHEMBL5383883 0.82 PPARA (0.84) PPARGPPARAPPARD
SCHEMBL5383887 0.82 PPARA (0.84) PPARGPPARAPPARD
SCHEMBL27674846 0.82 PPARA (0.84) PPARGPPARAPPARD
SCHEMBL5375774 0.81 PPARG (0.92) PPARGPPARAPPARD
SCHEMBL5390507 0.80 PPARG (0.65) PPARGPPARAPPARD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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 (2 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARG 2/4885PPARA 3/4885PPARD 7/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARG 1/4885PPARA 3/4885PPARD 4/4885

“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.