SCHEMBL3963646

SCHEMBL3963646

COc1ccc(OCCNC(=O)COc2ccc(C[C@H](OC)C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
PTPN1 P18031 1/20 0.58
PPARD Q03181 5/20 0.57
PPARG P37231 4/20 0.57
PPARA Q07869 4/20 0.57
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.52
ATM Q13315 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2D6 P10635 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3963637 1.00 KDM4E (0.58) KDM4EPTPN1PPARDPPARGPPARA
SCHEMBL5027065 0.91 PTPN1 (0.72) PTPN1ALDH1A1KMT2ACYP3A4POLB
SCHEMBL6388770 0.85 PPARG (0.56) PTPN1PPARDPPARGPPARAGAA
SCHEMBL6388763 0.85 PPARG (0.56) PTPN1PPARDPPARGPPARAGAA
SCHEMBL3960334 0.85 SMN1; SMN2 (0.60) KDM4EPTPN1PPARDPPARGPPARA
SCHEMBL3960340 0.85 SMN1; SMN2 (0.60) KDM4EPTPN1PPARDPPARGPPARA
SCHEMBL6148812 0.84 PTPN1 (0.68) KDM4EPTPN1PPARDPPARGPPARA
SCHEMBL3963630 0.84 PPARA (0.51) KDM4EPTPN1PPARDPPARGPPARA
SCHEMBL5361748 0.84 PPARA (0.51) KDM4EPTPN1PPARDPPARGPPARA
SCHEMBL5721743 0.84 TSHR (0.55) KDM4EPTPN1PPARDPPARGPPARA

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 18 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-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-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
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US 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 (5 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 KDM4E 2015/4885PTPN1 2707/4885PPARD 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 KDM4E 3634/4885PTPN1 1357/4885PPARD 6/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A KDM4E 942/4885PTPN1 2221/4885PPARD 127/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP KDM4E 4359/4885PTPN1 2050/4885PPARD 623/4885
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KDM4E 2399/4885PTPN1 3067/4885PPARD 3/4885

“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.