SCHEMBL4123534

SCHEMBL4123534

Cc1c(Nc2ccccc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.53
GLRB P48167 1/20 0.53
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
PLEC Q15149 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.40
GFER P55789 1/20 0.40
NGLY1 Q96IV0 1/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FABP4 P15090 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4123542 0.88 GLRA3 (0.49) GLRA3GLRBMAPTGAAAKR1C3
SCHEMBL2789477 0.75 GLRA3 (0.57) GLRA3GLRBGAAAKR1C3AKR1C2
SCHEMBL7780129 0.75 GLRA3 (0.78) GLRA3GLRBMAPTGAAALDH1A1
SCHEMBL9345896 0.74 GLRA3 (0.60) GLRA3GLRBMAPTGAAALDH1A1
SCHEMBL9342070 0.74 GLRA3 (0.75) GLRA3GLRBMAPTGAAALDH1A1
SCHEMBL4122027 0.74 GLRA3 (0.69) GLRA3GLRBMAPTGAAALDH1A1
SCHEMBL4128724 0.73 GLRA3 (0.54) GLRA3GLRBGAAMCL1ALDH1A1
SCHEMBL4113584 0.73 GLRA3 (0.54) GLRA3GLRBMAPTGAAMAPK1
Water SCHEMBL9341160 0.72 GLRA3 (0.72) GLRA3GLRBMAPTGAAALDH1A1
SCHEMBL4127736 0.72 GLRA3 (0.53) GLRA3GLRBGAANPSR1ATM

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 2/4885MAPT 3830/4885

“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.