SCHEMBL4122013

SCHEMBL4122013

CC(C)(C)c1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
GALR3 O60755 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD11B1 P28845 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
TP53 P04637 1/20 0.38
CYTH2 Q99418 1/20 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
SCHEMBL4128140 0.83 KMT2A (0.48) KMT2AMEN1SMN1; SMN2HSD11B1BCL2L1
SCHEMBL4114244 0.78 KMT2A (0.47) KMT2AMEN1SMN1; SMN2HTTGALR3
SCHEMBL4134729 0.78 MEN1 (0.52) KMT2AMEN1SMN1; SMN2HTTGALR3
SCHEMBL6363161 0.73 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2HTTGALR3
SCHEMBL4122558 0.72 MEN1 (0.62) KMT2AMEN1SMN1; SMN2BCL2L1MCL1
SCHEMBL394897 0.72 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2HTTGALR3
SCHEMBL7635581 0.72 PTGS2 (0.50) KMT2AMEN1SMN1; SMN2HSD11B1POLB
SCHEMBL7075976 0.70 POLB (0.48) KMT2AMEN1SMN1; SMN2HTTL3MBTL1
SCHEMBL9136696 0.70 TDP1 (0.78) KMT2AMEN1HSD11B1POLBALDH1A1
SCHEMBL4859122 0.69 MEN1 (0.69) KMT2AMEN1SMN1; SMN2HTTGALR3

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

“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.