SCHEMBL4127656

SCHEMBL4127656

Cc1c(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.49
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR2 P41597 2/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GALR3 O60755 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4113997 0.88 MEN1 (0.53) GLRA3GLRBPOLBMEN1KMT2A
SCHEMBL4114911 0.86 KMT2A (0.50) GLRA3GLRBPOLBMEN1KMT2A
SCHEMBL4121815 0.84 GLRA3 (0.47) GLRA3GLRBMEN1KMT2ASMN1; SMN2
SCHEMBL4121976 0.83 THRB (0.44) GLRA3GLRBHTTLMNAMAPT
SCHEMBL4123015 0.82 GLRA3 (0.47) GLRA3GLRBSMN1; SMN2L3MBTL1MAPK1
SCHEMBL4123599 0.82 GLRA3 (0.49) GLRA3GLRBPOLBMEN1KMT2A
SCHEMBL4137570 0.81 SMN1; SMN2 (0.42) GLRA3GLRBPOLBMEN1KMT2A
SCHEMBL4114244 0.79 KMT2A (0.47) GLRA3GLRBPOLBMEN1KMT2A
SCHEMBL4122724 0.79 PDE7A (0.47) GLRA3GLRBPOLBMEN1KMT2A
SCHEMBL11764473 0.76 GLRA3 (0.57) GLRA3GLRBPOLBMEN1KMT2A

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 KIF18A 3873/4885GLRA3 6/4885GLRB 2/4885

“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.