SCHEMBL4123639

SCHEMBL4123639

CC(C)(C)c1cc(C(=O)c2ccc(Cl)cc2)c(O)c(C(=O)O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.57
GLRB P48167 1/20 0.57
NR4A1 P22736 1/20 0.49
SRD5A2 P31213 2/20 0.44
FABP2 P12104 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 2/20 0.39
SERPINE1 P05121 1/20 0.39

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
SCHEMBL4115756 0.89 GLRA3 (0.50) GLRA3GLRBNR4A1SRD5A2FABP2
SCHEMBL4113511 0.85 POLB (0.42) GLRA3GLRBFABP2PPARGPPARA
SCHEMBL4130867 0.84 GLRA3 (0.54) GLRA3GLRBTDP1ALOX5PTGS1
SCHEMBL11209332 0.82 KMT2A (0.47) NR4A1FABP2PPARGPPARASLC22A12
SCHEMBL4122437 0.78 GLRA3 (0.53) GLRA3GLRBSRD5A2TDP1ALOX5
SCHEMBL4116572 0.77 GLRA3 (0.46) GLRA3GLRBNR4A1ALOX15TSHR
SCHEMBL4116577 0.77 GLRA3 (0.46) GLRA3GLRBNR4A1ALOX15TSHR
SCHEMBL4116615 0.77 GLRA3 (0.51) GLRA3GLRBSRD5A2PPARGTDP1
SCHEMBL4126309 0.76 GLRA3 (0.48) GLRA3GLRBSRD5A2TDP1ALOX15
SCHEMBL4113584 0.76 GLRA3 (0.54) GLRA3GLRBALOX5PTGS1PTGS2

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 2/4885NR4A1 409/4885

“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.