SCHEMBL4128845

SCHEMBL4128845

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.51
GLRB P48167 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
HIF1A Q16665 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
TP53 P04637 2/20 0.33
VCAM1 P19320 1/20 0.33
XDH P47989 1/20 0.33
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL1456900 0.81 GLRA3 (0.62) GLRA3GLRBSMN1; SMN2ALDH1A1CA2
SCHEMBL1457490 0.80 GLRA3 (0.61) GLRA3GLRBSMN1; SMN2ALDH1A1CA2
SCHEMBL4122008 0.79 GLRA3 (0.49) GLRA3GLRBCA2POLBXDH
SCHEMBL4129405 0.78 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2ALDH1A1CA2
SCHEMBL4128502 0.76 GLRA3 (0.46) GLRA3GLRBSMN1; SMN2ALDH1A1POLB
SCHEMBL4123091 0.76 GLRA3 (0.46) GLRA3GLRBSMN1; SMN2CA2POLB
SCHEMBL4136193 0.76 GAA (0.44) GLRA3GLRBSMN1; SMN2ALDH1A1POLB
SCHEMBL4128600 0.75 GLRA3 (0.44) GLRA3GLRBSMN1; SMN2ALDH1A1POLB
SCHEMBL4128225 0.75 GLRA3 (0.54) GLRA3GLRBSMN1; SMN2ALDH1A1CA2
SCHEMBL4121740 0.74 GLRA3 (0.43) GLRA3GLRBALDH1A1TDP1GAA

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 2/4885SMN1; SMN2 2423/4885

“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.