SCHEMBL4128052

SCHEMBL4128052

Cc1c(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
DPP4 P27487 1/20 0.39
KMT2A Q03164 3/20 0.37
EGLN1 Q9GZT9 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MEN1 O00255 2/20 0.34
CCR2 P41597 2/20 0.34
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4127167 0.90 GLRA3 (0.43) GLRA3GLRBKMT2ATP53CYP2C9
SCHEMBL4123599 0.88 GLRA3 (0.49) GLRA3GLRBKMT2ALMNATP53
SCHEMBL4121976 0.87 THRB (0.44) GLRA3GLRBLMNAALDH1A1GAA
SCHEMBL4133103 0.85 GLRA3 (0.51) GLRA3GLRBKMT2ATP53SMN1; SMN2
SCHEMBL4123686 0.84 GLRA3 (0.50) GLRA3GLRBDPP4KMT2ATP53
SCHEMBL4134036 0.84 GLRA3 (0.50) GLRA3GLRBDPP4KMT2ATP53
SCHEMBL4127736 0.83 GLRA3 (0.53) GLRA3GLRBKMT2AMEN1PTGS2
SCHEMBL4123015 0.83 GLRA3 (0.47) GLRA3GLRBDPP4TP53CYP2C9
SCHEMBL4120970 0.83 GLRA3 (0.47) GLRA3GLRBKMT2AGABBR2GABBR1
SCHEMBL4122088 0.82 GLRA3 (0.49) GLRA3GLRBKMT2ALMNATP53

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 6 patents. 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
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
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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 (1 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 2/4885DPP4 723/4885

“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.