SCHEMBL4130867

SCHEMBL4130867

CC(C)(C)c1cc(C(=O)c2ccc(F)c(F)c2)c(O)c(C(=O)O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.54
GLRB P48167 1/20 0.54
VNN1 O95497 2/20 0.41
IGFBP3 P17936 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL4123639 0.84 GLRA3 (0.57) GLRA3GLRBALOX5PTGS1PTGS2
SCHEMBL4116563 0.79 GLRA3 (0.44) GLRA3GLRBALDH1A1
SCHEMBL4127543 0.76 GLRA3 (0.50) GLRA3GLRBALOX5PTGS1PTGS2
SCHEMBL4115756 0.74 GLRA3 (0.50) GLRA3GLRBTDP1
SCHEMBL4122437 0.73 GLRA3 (0.53) GLRA3GLRBALOX5PTGS1PTGS2
SCHEMBL2791325 0.73 GLRA3 (1.00) GLRA3GLRBALOX5PTGS1PTGS2
SCHEMBL4116615 0.72 GLRA3 (0.51) GLRA3GLRBTDP1ALDH1A1RARG
SCHEMBL4121830 0.72 GLRA3 (0.48) GLRA3GLRBIGFBP3TDP1EPHX2
SCHEMBL4126309 0.72 GLRA3 (0.48) GLRA3GLRBIGFBP3SLC6A2SLC6A3
SCHEMBL17375000 0.72 GLRA3 (0.58) GLRA3GLRBPTGS1PTGS2TDP1

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 2/4885VNN1 4222/4885

“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.