SCHEMBL4133017

SCHEMBL4133017

Cc1c([S+]([O-])Cc2ccccc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
TNFRSF1A P19438 1/20 0.38
MAOB P27338 7/20 0.37
F2R P25116 1/20 0.35
MAOA P21397 4/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
P2RX3 P56373 1/20 0.35
PTGS2 P35354 3/20 0.35

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
SCHEMBL4114134 0.74 GLRA3 (0.50) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4121668 0.73 GLRA3 (0.49) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4122008 0.73 GLRA3 (0.49) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4129405 0.72 GLRA3 (0.48) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL2789477 0.72 GLRA3 (0.57) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL7780129 0.71 GLRA3 (0.78) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4122596 0.71 GLRA3 (0.49) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL9345896 0.70 GLRA3 (0.60) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL4122434 0.70 GLRA3 (0.51) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL9342070 0.70 GLRA3 (0.75) GLRA3GLRBMEN1GAAKMT2A

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 2/4885MEN1 2512/4885

“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.