SCHEMBL4116563

SCHEMBL4116563

Cc1c(C(=O)c2ccc(Cl)c(F)c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
DPP4 P27487 1/20 0.37
RORC P51449 8/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
SRD5A2 P31213 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP3A4 P08684 2/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL4126309 0.89 GLRA3 (0.48) GLRA3GLRBCYP2C9CYP2C19TP53
SCHEMBL4128153 0.86 GLRA3 (0.44) GLRA3GLRBCYP2C9CYP2C19TP53
SCHEMBL4127543 0.84 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2ALDH1A1SRD5A2
SCHEMBL4115756 0.84 GLRA3 (0.50) GLRA3GLRBCYP2C9CYP2C19TP53
SCHEMBL4122437 0.81 GLRA3 (0.53) GLRA3GLRBSMN1; SMN2ALDH1A1POLB
SCHEMBL4116615 0.80 GLRA3 (0.51) GLRA3GLRBSMN1; SMN2ALDH1A1SRD5A2
SCHEMBL4115252 0.80 GLRA3 (0.46) GLRA3GLRBCYP2C9CYP2C19TP53
SCHEMBL4113584 0.80 GLRA3 (0.54) GLRA3GLRBCYP2C9ALDH1A1POLB
SCHEMBL4121830 0.80 GLRA3 (0.48) GLRA3GLRBSMN1; SMN2SRD5A2AKR1C2
SCHEMBL4130867 0.79 GLRA3 (0.54) GLRA3GLRBALDH1A1

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 2/4885CYP2C9 649/4885

“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.