SCHEMBL4127417

SCHEMBL4127417

COc1ccc(S(=O)(=O)c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 2/20 0.44
MMP2 P08253 6/20 0.43
MMP8 P22894 6/20 0.43
MMP12 P39900 6/20 0.43
MMP13 P45452 6/20 0.43
MMP14 P50281 6/20 0.43
MMP16 P51512 6/20 0.43
MMP9 P14780 5/20 0.43
MMP3 P08254 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL4133103 0.87 GLRA3 (0.51) GAATP53MAPTGLRA3GLRB
SCHEMBL4128035 0.87 GLRA3 (0.43) GAATP53GLRA3GLRB
SCHEMBL4127736 0.86 GLRA3 (0.53) GAAGLRA3GLRBALDH1A1MEN1
SCHEMBL4123599 0.85 GLRA3 (0.49) GAATP53MAPTGLRA3GLRB
SCHEMBL4122088 0.85 GLRA3 (0.49) GAATP53MAPTGLRA3GLRB
SCHEMBL4114244 0.82 KMT2A (0.47) GLRA3GLRBALDH1A1SMN1; SMN2PKM
SCHEMBL4120970 0.81 GLRA3 (0.47) GLRA3GLRBALDH1A1MEN1KMT2A
SCHEMBL4128052 0.81 GLRA3 (0.47) GAATP53GLRA3GLRBALDH1A1
SCHEMBL4114664 0.80 GLRA3 (0.46) GAAGLRA3GLRBALDH1A1PKM
SCHEMBL2790755 0.79 GLRA3 (0.50) GLRA3GLRBALDH1A1SMN1; SMN2POLB

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 GAA 831/4885TP53 3809/4885MAPT 3830/4885

“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.