SCHEMBL4121668

SCHEMBL4121668

Cc1c(S(=O)(=O)Cc2ccccc2)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
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
C1S P09871 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
PTGS2 P35354 3/20 0.38
MAOB P27338 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL4127836 0.90 GLRA3 (0.44) GLRA3GLRBTSHRSMN1; SMN2HSD17B10
SCHEMBL4116222 0.89 GLRA3 (0.46) GLRA3GLRBTSHRSMN1; SMN2MEN1
SCHEMBL4128989 0.83 GAA (0.44) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4126146 0.83 GLRA3 (0.43) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4114644 0.80 GLRA3 (0.42) GLRA3GLRBSMN1; SMN2MEN1KMT2A
SCHEMBL4127736 0.80 GLRA3 (0.53) GLRA3GLRBC1SHSD17B10MEN1
SCHEMBL4114134 0.75 GLRA3 (0.50) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4122008 0.74 GLRA3 (0.49) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4128451 0.74 GLRA3 (0.46) GLRA3GLRBTSHRHSD17B10MEN1
SCHEMBL4133103 0.74 GLRA3 (0.51) GLRA3GLRBSMN1; SMN2MEN1GAA

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 2/4885TSHR 309/4885

“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.