SCHEMBL3963767

SCHEMBL3963767

CCOC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc(CC(OC)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.53
PPARG P37231 11/20 0.49
PPARA Q07869 11/20 0.49
PPARD Q03181 9/20 0.49
LTA4H P09960 2/20 0.48
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 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
SCHEMBL5369727 1.00 TRPM8 (0.53) TRPM8PPARGPPARAPPARDLTA4H
SCHEMBL3963064 0.87 PPARG (0.54) TRPM8PPARGPPARAPPARDALDH1A1
SCHEMBL3963060 0.87 PPARG (0.54) TRPM8PPARGPPARAPPARDALDH1A1
SCHEMBL3964823 0.80 PPARA (0.65) TRPM8PPARGPPARAPPARDALDH1A1
SCHEMBL3966859 0.79 TRPM8 (0.59) TRPM8PPARGPPARAPPARD
SCHEMBL5361287 0.79 TRPM8 (0.59) TRPM8PPARGPPARAPPARD
SCHEMBL3962797 0.79 PPARA (0.61) TRPM8PPARGPPARAPPARD
SCHEMBL3964973 0.79 TRPM8 (0.67) TRPM8PPARGPPARAPPARD
SCHEMBL6661730 0.79 PPARG (0.57) PPARGPPARAPPARDSMN1; SMN2MAPK1
SCHEMBL5721440 0.78 TRPM8 (0.67) TRPM8PPARGPPARAPPARDALDH1A1

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-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
EP-1675820-A2 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
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 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 (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 TRPM8 4620/4885PPARG 56/4885PPARA 138/4885
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 TRPM8 2338/4885PPARG 3/4885PPARA 2/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A TRPM8 4714/4885PPARG 91/4885PPARA 145/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP TRPM8 4071/4885PPARG 228/4885PPARA 346/4885

“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.