SCHEMBL2087231

SCHEMBL2087231

CCOC(=O)CCC(=O)c1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.64
MMP1 P03956 2/20 0.59
GSK3B P49841 2/20 0.53
BACE1 P56817 2/20 0.53
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.46
PPARA Q07869 1/20 0.45
NPC1 O15118 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2087094 0.91 MMP1 (0.56) MAOBMMP1GSK3BBACE1ALDH1A1
SCHEMBL2088056 0.86 MAOB (0.62) MAOBMMP1ALDH1A1LMNAL3MBTL1
SCHEMBL2089027 0.84 MAOB (0.67) MAOBMMP1GSK3BBACE1ALDH1A1
SCHEMBL6320535 0.81 MAOB (0.54) MAOBMMP1GSK3BBACE1ALDH1A1
SCHEMBL2087543 0.80 NPC1 (0.47) MAOBMMP1ALDH1A1L3MBTL1NPC1
SCHEMBL4686898 0.79 LMNA (0.61) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL2087028 0.79 MMP1 (0.47) MAOBMMP1LMNAL3MBTL1KMT2A
SCHEMBL2087082 0.79 MAOB (1.00) MAOBMMP1GSK3BBACE1ALDH1A1
SCHEMBL3906109 0.78 CYP4F2 (0.53) MAOBGSK3BBACE1ALDH1A1LMNA
SCHEMBL2088144 0.78 MAOB (0.63) MAOBMMP1L3MBTL1NPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1461323-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2013-10-09 EP disclosed
US-8552062-B2 Methods for the treatment of metabolic disorders such as diabetes WELLSTAT THERAPEUTICS CORPORATION (US) 2013-10-08 US disclosed
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 disclosed
US-7863475-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2011-01-04 US disclosed
US-7851494-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2010-12-14 US disclosed
US-7547802-B2 5-[3-(2,6-Dimethylbenzyloxy)-phenyl]-pent-4-enoic acid ethyl ester; insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis, arteriosclerosis; side effects reduction; orally active WELLSTAT THERAPEUTICS CORPORATION (US) 2009-06-16 US disclosed
US-7329782-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2008-02-12 US disclosed
US-20040267025-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-30 US disclosed
US-20040242692-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-12-02 US disclosed
US-20040236100-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-11-25 US disclosed
EP-1461323-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2004-09-29 EP disclosed
US-20040097585-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2004-05-20 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 (9 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-20040267025-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20040092516-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20040097585-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20040236100-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885MMP1 1789/4885GSK3B 2314/4885

“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.