SCHEMBL4129099

SCHEMBL4129099

Cc1c(Sc2ccccc2)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
TDP1 Q9NUW8 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
TNFRSF1A P19438 1/20 0.38
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPN P05981 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL4128339 0.90 GLRA3 (0.51) GLRA3GLRBTDP1POLBGAA
SCHEMBL4117201 0.88 GLRA3 (0.49) GLRA3GLRBTDP1POLBMAPT
SCHEMBL4123084 0.88 GLRA3 (0.49) GLRA3GLRBTDP1POLBMAPT
SCHEMBL4121706 0.88 GLRA3 (0.49) GLRA3GLRBPOLBGAAMAPT
SCHEMBL4115630 0.86 GLRA3 (0.47) GLRA3GLRBALDH1A1MEN1KMT2A
SCHEMBL4122654 0.84 MEN1 (0.46) GLRA3GLRBTDP1POLBGAA
SCHEMBL5062113 0.84 GLRA3 (0.50) GLRA3GLRBTDP1POLBTNFRSF1A
SCHEMBL4121770 0.84 GLRA3 (0.50) GLRA3GLRBTDP1POLBGAA
SCHEMBL4122737 0.84 SMN1; SMN2 (0.43) GLRA3GLRBTDP1GAAMAPT
SCHEMBL4127647 0.83 GLRA3 (0.47) GLRA3GLRBTDP1MAPTALDH1A1

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 2/4885TDP1 3398/4885

“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.