SCHEMBL4121813

SCHEMBL4121813

COC(=O)c1c(C)c(-c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.56
GLRB P48167 1/20 0.56
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 3/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
VCAM1 P19320 1/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 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
SCHEMBL4121809 0.94 GLRA3 (0.49) GLRA3GLRBCA2CA1CYP3A4
SCHEMBL4122027 0.89 GLRA3 (0.69) GLRA3GLRBCA2CA1MEN1
SCHEMBL21303531 0.79 GLRA3 (0.62) GLRA3GLRBCA2CA1MEN1
SCHEMBL4122527 0.79 GLRA3 (0.48) GLRA3GLRBCA2CA1KMT2A
SCHEMBL4128724 0.78 GLRA3 (0.54) GLRA3GLRBCA2MEN1KMT2A
SCHEMBL2790755 0.78 GLRA3 (0.50) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL2789477 0.78 GLRA3 (0.57) GLRA3GLRBCA2CA1MEN1
SCHEMBL7780129 0.77 GLRA3 (0.78) GLRA3GLRBCA2CA1MEN1
SCHEMBL4127231 0.77 GLRA3 (0.53) GLRA3GLRBCA2MEN1KMT2A
SCHEMBL9342070 0.76 GLRA3 (0.75) GLRA3GLRBCA2CA1MEN1

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 4 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
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 2/4885CA2 339/4885

“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.