SCHEMBL2087543

SCHEMBL2087543

CCOC(=O)CCC(=O)c1ccc(OCc2c(F)cccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
MAOB P27338 2/20 0.44
EGFR P00533 3/20 0.43
MMP1 P03956 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL2087710 0.88 MAOB (0.43) L3MBTL1MAOBTDP1
SCHEMBL2087071 0.87 NPC1 (0.49) NPC1L3MBTL1MAPK1ATMMAOB
SCHEMBL2088056 0.86 MAOB (0.62) NPC1L3MBTL1MAOBEGFRMMP1
SCHEMBL6322990 0.84 MAOB (0.43) NPC1L3MBTL1MAOBEGFRMMP1
SCHEMBL958298 0.83 NR4A2 (0.49) NPC1MAOBEGFRMAPTALDH1A1
SCHEMBL2088021 0.83 ALDH1A1 (0.59) NPC1L3MBTL1MAOBMAPTALDH1A1
SCHEMBL2087292 0.82 KAT6A (0.41) L3MBTL1MAOBMAPTTDP1
SCHEMBL2087094 0.80 MMP1 (0.56) NPC1L3MBTL1MAPK1ATMMAOB
SCHEMBL2087231 0.80 MAOB (0.64) NPC1L3MBTL1MAPK1ATMMAOB
SCHEMBL2090067 0.79 ABCB1 (0.52) NPC1L3MBTL1ATMALDH1A1TDP1

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 96 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-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-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 NPC1 572/4885L3MBTL1 985/4885MAPK1 2328/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B NPC1 572/4885L3MBTL1 985/4885MAPK1 2328/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B NPC1 572/4885L3MBTL1 985/4885MAPK1 2328/4885
US-20050090555-A1 Compound for the treatment of metabolic disorders GOT2, OAT, GPR119 NPC1 500/4885L3MBTL1 1094/4885MAPK1 2536/4885
US-20040242692-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B NPC1 572/4885L3MBTL1 985/4885MAPK1 2328/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B NPC1 572/4885L3MBTL1 985/4885MAPK1 2328/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B NPC1 572/4885L3MBTL1 985/4885MAPK1 2328/4885

“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.