SCHEMBL4115482

SCHEMBL4115482

Cc1c(-c2cnc3ccccc3c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
MGAM O43451 1/20 0.46
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
MAP4K4 O95819 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PIK3CA P42336 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4113835 0.85 MCL1 (0.49) GLRA3GLRBAKR1C3AKR1C2NPC1
SCHEMBL4125578 0.82 GLRA3 (0.49) SLC22A12GLRA3GLRBAKR1C3AKR1C2
SCHEMBL2789477 0.81 GLRA3 (0.57) GLRA3GLRBAKR1C3AKR1C2POLB
SCHEMBL27728550 0.79 TRPV1 (0.43) SLC22A12MGAMAKR1C3AKR1C2MAP4K4
SCHEMBL4120806 0.78 POLQ (0.42) SLC22A12AKR1C3AKR1C2MAP4K4CSNK1G2
SCHEMBL4128242 0.76 SLC22A12 (0.46) SLC22A12GLRA3GLRBCYP1A2
SCHEMBL4122027 0.75 GLRA3 (0.69) GLRA3GLRBPOLBMAPTSMN1; SMN2
SCHEMBL2789396 0.75 GLRA3 (0.49) GLRA3GLRBKDRDHODH
SCHEMBL4115492 0.75 GLRA3 (0.49) SLC22A12GLRA3GLRBAKR1C3AKR1C2
SCHEMBL4128724 0.74 GLRA3 (0.54) GLRA3GLRBPOLBSMN1; SMN2CYP1A2

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 SLC22A12 940/4885MGAM 2305/4885GLRA3 6/4885

“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.