SCHEMBL4122558

SCHEMBL4122558

Cc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(=O)O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.46
ALDH1A1 P00352 6/20 0.45
GPR35 Q9HC97 2/20 0.45
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.42
KIF18A Q8NI77 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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 0.85 KMT2A (0.48) MEN1KMT2APOLBALDH1A1GPR35
SCHEMBL5069803 0.75 BCL2L1 (0.60) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL6039960 0.74 KMT2A (0.78) MEN1KMT2APOLBALDH1A1GPR35
SCHEMBL1970447 0.73 KMT2A (0.67) MEN1KMT2APOLBALDH1A1GPR35
SCHEMBL4132949 0.73 PHLPP2 (0.52) MEN1KMT2AALDH1A1PHLPP2BCL2L1
SCHEMBL4122013 0.72 KMT2A (0.49) MEN1KMT2APOLBALDH1A1CYP3A4
SCHEMBL5628816 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1GPR35MAPK1
SCHEMBL4113997 0.72 MEN1 (0.53) MEN1KMT2APOLBALDH1A1GPR35
SCHEMBL4616634 0.72 KMT2A (0.55) MEN1KMT2APOLBALDH1A1GPR35
SCHEMBL19419900 0.71 MEN1 (0.57) MEN1KMT2AALDH1A1GPR35MAPK1

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 MEN1 2512/4885KMT2A 2465/4885POLB 4477/4885

“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.