SCHEMBL4117201

SCHEMBL4117201

Cc1c(Sc2ccncc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.49
GLRB P48167 1/20 0.49
GRM2 Q14416 2/20 0.36
PDE7A Q13946 1/20 0.36
VCAM1 P19320 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
ALOX5 P09917 2/20 0.34
PTGS2 P35354 2/20 0.34
MAPK14 Q16539 1/20 0.34
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPN P05981 1/20 0.33

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
SCHEMBL4129099 0.88 GLRA3 (0.53) GLRA3GLRBALOX5PTGS2ALOX15
SCHEMBL4128339 0.87 GLRA3 (0.51) GLRA3GLRBVCAM1ICAM1SELE
SCHEMBL4123084 0.85 GLRA3 (0.49) GLRA3GLRBVCAM1ICAM1SELE
SCHEMBL4121706 0.85 GLRA3 (0.49) GLRA3GLRBALDH1A1SMN1; SMN2TP53
SCHEMBL4115630 0.82 GLRA3 (0.47) GLRA3GLRBICAM1SELEALOX5
SCHEMBL4123091 0.81 GLRA3 (0.46) GLRA3GLRBGRM2ALOX5PTGS2
SCHEMBL4122654 0.81 MEN1 (0.46) GLRA3GLRBPDE7AALDH1A1SMN1; SMN2
SCHEMBL4121770 0.81 GLRA3 (0.50) GLRA3GLRBVCAM1ALOX15ALDH1A1
SCHEMBL4117087 0.80 GLRA3 (0.47) GLRA3GLRBVCAM1ICAM1SELE
SCHEMBL4127647 0.80 GLRA3 (0.47) GLRA3GLRBICAM1SELEALOX15

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 2/4885GRM2 47/4885

“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.