SCHEMBL4137570

SCHEMBL4137570

Cc1c(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GALR3 O60755 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 1/20 0.40
SLC25A1 P53007 1/20 0.39
NHERF1 O14745 1/20 0.38
MCL1 Q07820 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HSD11B1 P28845 2/20 0.38

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 0.86 MEN1 (0.53) SMN1; SMN2KMT2AMEN1HTTL3MBTL1
SCHEMBL4114244 0.85 KMT2A (0.47) SMN1; SMN2KMT2AMEN1HTTL3MBTL1
SCHEMBL4123015 0.84 GLRA3 (0.47) SMN1; SMN2L3MBTL1NR1H4GLRA3GLRB
SCHEMBL5061844 0.84 MCL1 (0.49) SMN1; SMN2KMT2AMEN1HTTL3MBTL1
SCHEMBL4121976 0.83 THRB (0.44) HTTGLRA3GLRBALDH1A1SLC25A1
SCHEMBL4127131 0.82 KMT2A (0.49) SMN1; SMN2KMT2AMEN1HTTL3MBTL1
SCHEMBL4127656 0.81 KIF18A (0.49) SMN1; SMN2KMT2AMEN1HTTL3MBTL1
SCHEMBL4123686 0.81 GLRA3 (0.50) SMN1; SMN2KMT2AMEN1NR1H4GLRA3
SCHEMBL4128052 0.80 GLRA3 (0.47) SMN1; SMN2KMT2AMEN1GLRA3GLRB
SCHEMBL4114911 0.79 KMT2A (0.50) SMN1; SMN2KMT2AMEN1HTTL3MBTL1

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 SMN1; SMN2 2423/4885KMT2A 2465/4885MEN1 2512/4885

“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.