SCHEMBL2087017

SCHEMBL2087017

O=C(O)CCC(=O)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.70
NR4A2 P43354 5/20 0.59
MRGPRX4 Q96LA9 2/20 0.57
NR4A1 P22736 1/20 0.57
NR4A3 Q92570 1/20 0.57
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
PPARA Q07869 1/20 0.54
PTPN1 P18031 2/20 0.52
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPRB P23467 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50

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
SCHEMBL7049784 0.86 NR4A2 (0.78) MAOBNR4A2MRGPRX4NR4A1NR4A3
SCHEMBL2088046 0.85 MAOB (0.66) MAOBNR4A2MRGPRX4NR4A1NR4A3
SCHEMBL28056060 0.85 MAOB (0.77) MAOBNR4A2MRGPRX4NR4A1NR4A3
SCHEMBL15340411 0.84 MAOB (0.69) MAOBNR4A2NR4A1NR4A3FFAR1
SCHEMBL1633824 0.83 LMNA (0.52) MAOBPPARA
SCHEMBL2088610 0.82 MAOB (1.00) MAOBNR4A2MRGPRX4NR4A1NR4A3
SCHEMBL7442111 0.82 MAOB (0.76) MAOBNR4A2MRGPRX4NR4A1NR4A3
SCHEMBL30417785 0.82 MAOB (0.76) MAOBNR4A2MRGPRX4NR4A1NR4A3
SCHEMBL17969089 0.80 MAOB (0.73) MAOBNR4A2MRGPRX4NR4A1NR4A3
SCHEMBL1010424 0.80 MAOB (0.64) MAOBNR4A2MRGPRX4FFAR1FFAR4

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461323-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-09 EP claimed
US-8487000-B2 4-(3-(2,6-Dimethoxybenzyloxy)phenyl)-4-oxobutyric acid or derivatives for treatment of insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis or arteriosclerosis Wellstat Therapertics Corporation (US) 2013-07-16 US claimed
JP-4711621-B2 2011-06-29 JP claimed
CN-100344616-C Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORP (US) 2007-10-24 CN claimed
US-20050090555-A1 Compound for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2005-04-28 US claimed
CN-1608055-A Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORP (US) 2005-04-20 CN claimed
US-20040242692-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-02 US claimed
EP-1461323-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2004-09-29 EP claimed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US claimed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2002-12-19 WO claimed
US-9133073-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2015-09-15 US disclosed
US-9133073-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2015-09-15 US disclosed
US-8604083-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2013-12-10 US disclosed
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-24 US disclosed
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-24 US disclosed
US-20040092516-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2004-05-13 US disclosed
US-20040092518-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2004-05-13 US disclosed
US-20040077896-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-04-22 US disclosed
US-20030149107-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2003-08-07 US disclosed
WO-2002100341-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (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 (7 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-20040092516-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885NR4A2 2849/4885MRGPRX4 2346/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885NR4A2 2849/4885MRGPRX4 2346/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MAOB 589/4885NR4A2 2849/4885MRGPRX4 2346/4885
US-20050090555-A1 Compound for the treatment of metabolic disorders GOT2, OAT, GPR119 MAOB 758/4885NR4A2 2462/4885MRGPRX4 2336/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885NR4A2 2849/4885MRGPRX4 2346/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885NR4A2 2849/4885MRGPRX4 2346/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885NR4A2 2849/4885MRGPRX4 2346/4885

“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.