SCHEMBL4128140

SCHEMBL4128140

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
PHLPP2 Q6ZVD8 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYTH2 Q99418 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
MEN1 O00255 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HMGB1 P09429 1/20 0.41
CXCL12 P48061 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL4122558 0.85 MEN1 (0.62) KMT2APOLBPHLPP2ALDH1A1TDP1
SCHEMBL4132949 0.84 PHLPP2 (0.52) KMT2APHLPP2ALDH1A1BCL2L1MCL1
SCHEMBL5069803 0.84 BCL2L1 (0.60) KMT2APOLBALDH1A1TDP1SMN1; SMN2
SCHEMBL4122013 0.83 KMT2A (0.49) KMT2APOLBALDH1A1TDP1SMN1; SMN2
SCHEMBL4120980 0.82 BCL2L1 (0.59) KMT2APOLBPHLPP2ALDH1A1BCL2L1
SCHEMBL4129021 0.82 PHLPP2 (0.50) POLBPHLPP2ALDH1A1TDP1SMN1; SMN2
SCHEMBL5628816 0.78 ALDH1A1 (0.61) KMT2APHLPP2ALDH1A1TDP1SMN1; SMN2
SCHEMBL11176484 0.76 ALDH1A1 (0.46) KMT2APHLPP2ALDH1A1TDP1SMN1; SMN2
SCHEMBL4121424 0.76 ALDH1A1 (0.46) KMT2AALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL4127121 0.75 ALDH1A1 (0.45) KMT2AALDH1A1TDP1SMN1; SMN2BCL2L1

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 2465/4885POLB 4477/4885PHLPP2 2402/4885

“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.