SCHEMBL3963630

SCHEMBL3963630

COC(Cc1ccc(OCC(=O)NCCC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
PPARD Q03181 5/20 0.51
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL5361748 1.00 PPARA (0.51) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL3960340 0.85 SMN1; SMN2 (0.60) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL3960334 0.85 SMN1; SMN2 (0.60) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5027065 0.84 PTPN1 (0.72) PTPN1CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3963637 0.84 KDM4E (0.58) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL3963646 0.84 KDM4E (0.58) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL6148812 0.84 PTPN1 (0.68) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5721743 0.84 TSHR (0.55) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5024583 0.83 PTPN1 (0.60) PPARAPPARGPPARDPTPN1KDM4E
SCHEMBL5353330 0.83 TSHR (0.54) PPARAPPARGPPARDPTPN1KDM4E

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-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US claimed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP 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
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO 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-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP 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
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 PPARA 138/4885PPARG 56/4885PPARD 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 PPARA 2/4885PPARG 3/4885PPARD 6/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A PPARA 145/4885PPARG 91/4885PPARD 127/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP PPARA 346/4885PPARG 228/4885PPARD 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.