SCHEMBL4123091

SCHEMBL4123091

Cc1c(SCc2ccncc2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
PPARG P37231 2/20 0.39
MAPK14 Q16539 2/20 0.36
DAO P14920 1/20 0.36
MAPT P10636 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDR P35968 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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 0.89 GLRA3 (0.49) GLRA3GLRBPPARGMEN1KMT2A
SCHEMBL4121024 0.86 PPARG (0.42) GLRA3GLRBPPARGDAONR1H4
SCHEMBL4128502 0.86 GLRA3 (0.46) GLRA3GLRBDAOMAPTMEN1
SCHEMBL4128600 0.82 GLRA3 (0.44) GLRA3GLRBDAOMAPTMEN1
SCHEMBL4117201 0.81 GLRA3 (0.49) GLRA3GLRBMAPK14MAPTPOLB
SCHEMBL4136193 0.81 GAA (0.44) GLRA3GLRBPPARGDAOMAPT
SCHEMBL4127521 0.79 CYP1A2 (0.49) GLRA3GLRBDAOMAPTMEN1
SCHEMBL4129405 0.78 GLRA3 (0.48) GLRA3GLRBMEN1KMT2ASMN1; SMN2
SCHEMBL4121740 0.77 GLRA3 (0.43) GLRA3GLRBPPARGMEN1KMT2A
SCHEMBL4128845 0.76 GLRA3 (0.51) GLRA3GLRBMAPTCYP1A2POLB

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 2/4885PPARG 101/4885

“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.