SCHEMBL4129271

SCHEMBL4129271

Cc1c(Sc2ccc(Cl)cc2Cl)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
ITGB2 P05107 6/20 0.42
ICAM1 P05362 6/20 0.42
ITGAL P20701 6/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP7 Q93009 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
USP47 Q96K76 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 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
SCHEMBL4113656 0.90 GLRA3 (0.47) GLRA3GLRBALDH1A1MEN1MAPT
SCHEMBL4116277 0.90 GLRA3 (0.53) GLRA3GLRBITGB2ICAM1ITGAL
SCHEMBL4122301 0.88 GLRA3 (0.44) GLRA3GLRBALDH1A1MAPTHTT
SCHEMBL4134003 0.86 GLRA3 (0.50) GLRA3GLRBALDH1A1MEN1MAPT
SCHEMBL4121706 0.85 GLRA3 (0.49) GLRA3GLRBALDH1A1MEN1MAPT
SCHEMBL4122724 0.84 PDE7A (0.47) GLRA3GLRBITGB2ICAM1ITGAL
SCHEMBL4114838 0.82 GLRA3 (0.46) GLRA3GLRBITGALALDH1A1KMT2A
SCHEMBL4121922 0.81 GLRA3 (0.48) GLRA3GLRBALDH1A1MEN1MAPT
SCHEMBL4121770 0.81 GLRA3 (0.50) GLRA3GLRBALDH1A1MAPTUSP7
SCHEMBL4127647 0.81 GLRA3 (0.47) GLRA3GLRBICAM1ALDH1A1MAPT

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 2/4885ITGB2 4249/4885

“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.