SCHEMBL4121976

SCHEMBL4121976

Cc1c(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
VCAM1 P19320 12/20 0.43
SLC25A1 P53007 1/20 0.42
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 3/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4128052 0.87 GLRA3 (0.47) LMNAGLRA3GLRBALDH1A1GAA
SCHEMBL4114244 0.83 KMT2A (0.47) HTTGLRA3GLRBALDH1A1
SCHEMBL4127656 0.83 KIF18A (0.49) MAPTLMNAHTTGLRA3GLRB
SCHEMBL4137570 0.83 SMN1; SMN2 (0.42) SLC25A1LMNAHTTGPR55GLRA3
SCHEMBL4123599 0.82 GLRA3 (0.49) MAPTLMNAGLRA3GLRBALDH1A1
SCHEMBL4127131 0.82 KMT2A (0.49) MAPTLMNAHTTGLRA3GLRB
SCHEMBL4127167 0.81 GLRA3 (0.43) HTTGLRA3GLRBALDH1A1
SCHEMBL4114911 0.81 KMT2A (0.50) THRBLMNAHTTGLRA3GLRB
SCHEMBL4113997 0.80 MEN1 (0.53) HTTGLRA3GLRBALDH1A1
SCHEMBL4133103 0.79 GLRA3 (0.51) THRBMAPTHTTGLRA3GLRB

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 THRB 330/4885VCAM1 3673/4885SLC25A1 1049/4885

“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.