SCHEMBL4128600

SCHEMBL4128600

Cc1cccc(CSc2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSMD14 O00487 1/20 0.42
CYP1A2 P05177 1/20 0.42
AGTR1 P30556 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRK1 P41145 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DAO P14920 1/20 0.40
MAPT P10636 5/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL4122008 0.90 GLRA3 (0.49) GLRA3GLRBL3MBTL1MEN1KMT2A
SCHEMBL4127521 0.87 CYP1A2 (0.49) GLRA3GLRBHPGDALDH1A1LMNA
SCHEMBL4121024 0.83 PPARG (0.42) GLRA3GLRBHPGDALDH1A1LMNA
SCHEMBL4128502 0.82 GLRA3 (0.46) GLRA3GLRBHPGDALDH1A1LMNA
SCHEMBL4123091 0.82 GLRA3 (0.46) GLRA3GLRBHPGDMEN1KMT2A
SCHEMBL4129405 0.82 GLRA3 (0.48) GLRA3GLRBALDH1A1LMNAHTT
SCHEMBL4127630 0.80 GLRA3 (0.43) GLRA3GLRBALDH1A1MAPTTAAR1
SCHEMBL4121740 0.78 GLRA3 (0.43) GLRA3GLRBALDH1A1HTTKDM4E
SCHEMBL4136193 0.77 GAA (0.44) GLRA3GLRBHPGDALDH1A1LMNA
SCHEMBL4127836 0.77 GLRA3 (0.44) GLRA3GLRBHPGDALDH1A1LMNA

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 2/4885HPGD 1724/4885

“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.