SCHEMBL4120970

SCHEMBL4120970

Cc1c(S(=O)(=O)c2ccc(F)c(F)c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CRHBP P24387 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
PTGS2 P35354 6/20 0.35
PTGS1 P23219 2/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
COMT P21964 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
METAP2 P50579 1/20 0.33
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL4127167 0.90 GLRA3 (0.43) GLRA3GLRBMEN1KMT2ACRHBP
SCHEMBL4123599 0.85 GLRA3 (0.49) GLRA3GLRBMEN1KMT2AMETAP2
SCHEMBL4133103 0.85 GLRA3 (0.51) GLRA3GLRBMEN1KMT2APTGS2
SCHEMBL4127736 0.83 GLRA3 (0.53) GLRA3GLRBMEN1KMT2AATM
SCHEMBL4128052 0.83 GLRA3 (0.47) GLRA3GLRBMEN1KMT2APTGS2
SCHEMBL4122088 0.82 GLRA3 (0.49) GLRA3GLRBMEN1KMT2APTGS2
SCHEMBL4114664 0.82 GLRA3 (0.46) GLRA3GLRBMEN1KMT2APTGS2
SCHEMBL4134036 0.81 GLRA3 (0.50) GLRA3GLRBMEN1KMT2AGABBR2
SCHEMBL4127417 0.81 GAA (0.50) GLRA3GLRBMEN1KMT2AALDH1A1
SCHEMBL4128035 0.80 GLRA3 (0.43) GLRA3GLRBACHE

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.