SCHEMBL4113997

SCHEMBL4113997

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 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
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
POLB P06746 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GPR35 Q9HC97 3/20 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
SCHEMBL4127656 0.88 KIF18A (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL4114911 0.87 KMT2A (0.50) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4114244 0.86 KMT2A (0.47) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4137570 0.86 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5057896 0.83 POLB (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL4127131 0.83 KMT2A (0.49) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4121976 0.80 THRB (0.44) ALDH1A1HTTGLRA3GLRB
SCHEMBL4128042 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL4121020 0.78 TXNRD1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL5053296 0.78 BCL2L1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1

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 2465/4885ALDH1A1 1413/4885

“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.