SCHEMBL4123084

SCHEMBL4123084

Cc1c(Sc2ccc(Br)cc2)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
RHEB Q15382 3/20 0.38
DHODH Q02127 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
PTGDR2 Q9Y5Y4 1/20 0.34
ICAM1 P05362 2/20 0.34
SELE P16581 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL4128339 0.90 GLRA3 (0.51) GLRA3GLRBALOX15ALDH1A1SMN1; SMN2
SCHEMBL4129099 0.88 GLRA3 (0.53) GLRA3GLRBDHODHALOX15ALDH1A1
SCHEMBL4121706 0.87 GLRA3 (0.49) GLRA3GLRBRHEBDHODHALDH1A1
SCHEMBL4113666 0.86 GLRA3 (0.46) GLRA3GLRBRHEBALOX15ALDH1A1
SCHEMBL4115630 0.85 GLRA3 (0.47) GLRA3GLRBALDH1A1PTGDR2ICAM1
SCHEMBL4117201 0.85 GLRA3 (0.49) GLRA3GLRBALOX15ALDH1A1SMN1; SMN2
SCHEMBL4122654 0.83 MEN1 (0.46) GLRA3GLRBALDH1A1SMN1; SMN2MAPK1
SCHEMBL4127647 0.82 GLRA3 (0.47) GLRA3GLRBRHEBALOX15ALDH1A1
SCHEMBL4117087 0.82 GLRA3 (0.47) GLRA3GLRBRHEBDHODHALOX15
SCHEMBL4114551 0.82 RHEB (0.44) GLRA3GLRBRHEBDHODHPOLB

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 2/4885RHEB 3735/4885

“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.