SCHEMBL4127736

SCHEMBL4127736

Cc1c(S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.53
GLRB P48167 1/20 0.53
THRB P10828 1/20 0.42
GAA P10253 3/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
ATM Q13315 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
PTGS2 P35354 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 1/20 0.39
TNFRSF1A P19438 1/20 0.38
C1S P09871 1/20 0.38
ABCC9 O60706 2/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38

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
SCHEMBL4133103 0.90 GLRA3 (0.51) GLRA3GLRBTHRBGAAPOLB
SCHEMBL4123599 0.88 GLRA3 (0.49) GLRA3GLRBGAAPOLBMEN1
SCHEMBL4122088 0.88 GLRA3 (0.49) GLRA3GLRBGAAMEN1KMT2A
SCHEMBL4127417 0.86 GAA (0.50) GLRA3GLRBTHRBGAAPOLB
SCHEMBL4114244 0.85 KMT2A (0.47) GLRA3GLRBPOLBMEN1KMT2A
SCHEMBL4134036 0.84 GLRA3 (0.50) GLRA3GLRBGAAPOLBMEN1
SCHEMBL4127131 0.84 KMT2A (0.49) GLRA3GLRBGAAMEN1KMT2A
SCHEMBL4128052 0.83 GLRA3 (0.47) GLRA3GLRBGAAMEN1KMT2A
SCHEMBL4120970 0.83 GLRA3 (0.47) GLRA3GLRBMEN1KMT2AATM
SCHEMBL4128035 0.83 GLRA3 (0.43) GLRA3GLRBGAA

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 2/4885THRB 330/4885

“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.