SCHEMBL3960331

SCHEMBL3960331

CO[C@@H](Cc1ccc(OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
PPARA Q07869 6/20 0.51
PPARD Q03181 5/20 0.51
CYP2D6 P10635 1/20 0.46
EPHX2 P34913 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 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
SCHEMBL5721701 1.00 PPARG (0.51) PPARGPPARAPPARDCYP2D6EPHX2
SCHEMBL3960321 1.00 PPARG (0.51) PPARGPPARAPPARDCYP2D6EPHX2
SCHEMBL5372547 1.00 PPARG (0.51) PPARGPPARAPPARDCYP2D6EPHX2
SCHEMBL3960715 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3960707 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3968494 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL5358355 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3968491 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3965041 0.81 PPARG (0.51) PPARGPPARAPPARDMEN1LMNA
SCHEMBL3965050 0.81 PPARG (0.51) PPARGPPARAPPARDMEN1LMNA

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-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US claimed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP claimed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US claimed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 US claimed
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20070244198-A1 Carboxylic Derivatives LI LANNA 2007-10-18 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-20060258866-A1 Carboxylic derivates ASTRAZENECA AB, A SWEDEN CORPORATION 2006-11-16 US disclosed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 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 (4 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-20070244198-A1 Carboxylic Derivatives GPR119, CPT1A, PC PPARG 56/4885PPARA 138/4885PPARD 84/4885
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 6/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A PPARG 91/4885PPARA 145/4885PPARD 127/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP PPARG 228/4885PPARA 346/4885PPARD 623/4885

“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.