SCHEMBL2087206

SCHEMBL2087206

CC(=O)[C@H](CC(=O)c1ccc(OCc2c(F)cccc2F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
ALKBH1 Q13686 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NR4A2 P43354 1/20 0.40
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
ANO1 Q5XXA6 2/20 0.39
EGFR P00533 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27594863 1.00 MAOB (0.47) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL27750738 0.86 MAOB (0.45) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL12934374 0.83 SMN1; SMN2 (0.43) MAOBALKBH1SMN1; SMN2RAB9ANPC1
SCHEMBL6322991 0.83 MAOB (0.42) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL4237597 0.81 MAOB (0.43) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL2090015 0.80 GSK3B (0.50) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL2087289 0.80 MAOB (0.70) MAOBMAOASMN1; SMN2ALDH1A1HTT
SCHEMBL2087038 0.78 NR4A2 (0.61) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL958298 0.78 NR4A2 (0.49) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL2641408 0.77 MEN1 (0.38) MAOBALKBH1PARP15PARP14PARP10

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 49 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
US-20050090555-A1 Compound for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2005-04-28 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-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
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 (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 589/4885ALKBH1 3078/4885PARP15 3746/4885
US-20040092518-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885ALKBH1 3078/4885PARP15 3746/4885
US-20130281705-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B MAOB 589/4885ALKBH1 3078/4885PARP15 3746/4885
US-20040097585-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885ALKBH1 3078/4885PARP15 3746/4885
US-20050090555-A1 Compound for the treatment of metabolic disorders GOT2, OAT, GPR119 MAOB 758/4885ALKBH1 3610/4885PARP15 3481/4885
US-20040077896-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885ALKBH1 3078/4885PARP15 3746/4885
US-20030149107-A1 Compounds for the treatment of metabolic disorders GOT2, OAT, CPT1B MAOB 589/4885ALKBH1 3078/4885PARP15 3746/4885

“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.