SCHEMBL2436993

SCHEMBL2436993

Cc1c(Br)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.65
GLRB P48167 1/20 0.65
CA2 P00918 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
CA1 P00915 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
TTR P02766 1/20 0.37
TP53 P04637 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL7780129 0.84 GLRA3 (0.78) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL9342070 0.82 GLRA3 (0.75) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL4122027 0.82 GLRA3 (0.69) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL2362486 0.81 GLRA3 (0.61) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
Water SCHEMBL9341160 0.81 GLRA3 (0.72) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL2788792 0.79 GLRA3 (0.65) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL2787868 0.79 GLRA3 (0.65) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL4113886 0.79 GLRA3 (0.65) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL1457169 0.79 GLRA3 (0.65) GLRA3GLRBCA2SMN1; SMN2ALDH1A1
SCHEMBL2791325 0.79 GLRA3 (1.00) GLRA3GLRBCA2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US claimed
CN-101218201-A Benzoic acid derivatives as GlyR modulators or agonists ASTRAZENECA AB (SE) 2008-07-09 CN claimed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO claimed
EP-2086951-B1 NOVEL 2-(2-HYDROXYPHENYL) BENZOTHIADIAZINES USEFUL FOR TREATING OBESITY AND DIABETES HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-21 EP disclosed
US-8022066-B2 2-(2-hydroxyphenyl) benzothiadiazines useful for treating obesity and diabetes HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-20 US disclosed
US-20100249161-A1 2- ( 2 -HYDROXYPHENYL) -QUINAZOLIN-4-ONES USEFUL FOR TREATING OBESITY AND DIABETES HIGH POINT PHARMACEUTICALS, LLC 2010-09-30 US disclosed
EP-1575575-B1 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-19 EP disclosed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US disclosed
US-20090325941-A1 NOVEL 2-(2-HYDROXYPHENYL) BENZOTHIADIAZINES USEFUL FOR TREATING OBESITY AND DIABETES HIGH POINT PHARMACEUTICALS, LLC 2009-12-31 US disclosed
EP-2097391-A1 2- ( 2 -HYDROXYPHENYL) -QUINAZOLIN-4-ONES USEFUL FOR TREATING OBESITY AND DIABETES High Point Pharmaceuticals, LLC (US) 2009-09-09 EP disclosed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101175720-A Novel haloalkyl sulfone substituted compounds useful for the treatment of obesity and diabetes NOVO NORDISK AS (DK) 2008-05-07 CN disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 WO disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO disclosed
EP-1575575-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-21 EP disclosed
US-20040138301-A1 Chemical uncouplers for the treatment of obesity HIGH POINT PHARMACEUTICALS, LLC 2004-07-15 US disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 GLRA3 6/4885GLRB 2/4885CA2 339/4885
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A GLRA3 1540/4885GLRB 1915/4885CA2 1139/4885
US-20090325941-A1 NOVEL 2-(2-HYDROXYPHENYL) BENZOTHIADIAZINES USEFUL FOR TREATING OBESITY AND DIABETES TXNRD2, GPR119, SLC5A2 GLRA3 3900/4885GLRB 3733/4885CA2 1242/4885
US-20100249161-A1 2- ( 2 -HYDROXYPHENYL) -QUINAZOLIN-4-ONES USEFUL FOR TREATING OBESITY AND DIABETES GPR119, PGC, FABP4 GLRA3 3425/4885GLRB 3933/4885CA2 812/4885
US-20040138301-A1 Chemical uncouplers for the treatment of obesity PC, CPT2, IDH2 GLRA3 3862/4885GLRB 2597/4885CA2 371/4885

“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.