SCHEMBL4121922

SCHEMBL4121922

Cc1c(Sc2c(Cl)cccc2Cl)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 1/20 0.36
KMT2A Q03164 2/20 0.36
USP7 Q93009 1/20 0.34
USP47 Q96K76 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4114838 0.88 GLRA3 (0.46) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL5062113 0.87 GLRA3 (0.50) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4134003 0.82 GLRA3 (0.50) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4129099 0.82 GLRA3 (0.53) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4127647 0.81 GLRA3 (0.47) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4129271 0.81 GLRA3 (0.47) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4113656 0.81 GLRA3 (0.47) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4121706 0.81 GLRA3 (0.49) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4122301 0.80 GLRA3 (0.44) GLRA3GLRBTP53SMN1; SMN2HIF1A
SCHEMBL4121770 0.80 GLRA3 (0.50) GLRA3GLRBTP53SMN1; SMN2HIF1A

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 1 patent. 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 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 2/4885TP53 3809/4885

“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.