SCHEMBL4122596

SCHEMBL4122596

Cc1c([S+]([O-])c2cc(Cl)c(Cl)cc2Cl)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.49
GLRB P48167 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.38
DPP4 P27487 1/20 0.34
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
LDHA P00338 2/20 0.31
LDHB P07195 2/20 0.31
MEN1 O00255 1/20 0.31
GALR3 O60755 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4128218 0.82 KMT2A (0.42) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL1457169 0.77 GLRA3 (0.65) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL4123794 0.73 MEN1 (0.46) GLRA3GLRBSMN1; SMN2ALDH1A1CA2
SCHEMBL4128042 0.73 MEN1 (0.43) GLRA3GLRBSMN1; SMN2TP53ALDH1A1
SCHEMBL4134003 0.73 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL4123686 0.73 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL7780129 0.72 GLRA3 (0.78) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL4133017 0.71 GLRA3 (0.48) GLRA3GLRBLDHALDHBMEN1
SCHEMBL4126309 0.71 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL9342070 0.71 GLRA3 (0.75) GLRA3GLRBSMN1; SMN2CYP2C9CYP2C19

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 2/4885SMN1; SMN2 2423/4885

“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.