SCHEMBL4128035

SCHEMBL4128035

Cc1c(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.41
CFTR P13569 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
GAA P10253 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
CYP2C9 P11712 1/20 0.37
TP53 P04637 1/20 0.36
IDH1 O75874 1/20 0.36
WDR5 P61964 1/20 0.36
MEP1B Q16820 1/20 0.36
P2RY1 P47900 1/20 0.36

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
SCHEMBL4127417 0.87 GAA (0.50) GLRA3GLRBGAATP53
SCHEMBL4133103 0.84 GLRA3 (0.51) GLRA3GLRBGAATP53
SCHEMBL4127736 0.83 GLRA3 (0.53) GLRA3GLRBGAA
SCHEMBL4122088 0.82 GLRA3 (0.49) GLRA3GLRBPTGDR2GAATP53
SCHEMBL4123599 0.82 GLRA3 (0.49) GLRA3GLRBGAATP53
SCHEMBL4120970 0.80 GLRA3 (0.47) GLRA3GLRBACHE
SCHEMBL2789123 0.80 GLRA3 (0.47) GLRA3GLRBFFAR4AKR1C2AKR1C1
SCHEMBL4114244 0.79 KMT2A (0.47) GLRA3GLRB
SCHEMBL4121331 0.79 GLRA3 (0.48) GLRA3GLRBPTGDR2GAA
SCHEMBL4122728 0.78 GLRA3 (0.44) GLRA3GLRBAKR1C2AKR1C1AURKA

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 2/4885PTGDR2 180/4885

“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.