SCHEMBL4123794

SCHEMBL4123794

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
GALR3 O60755 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
NR1H4 Q96RI1 3/20 0.39
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SRD5A2 P31213 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL4128042 0.85 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4128218 0.84 KMT2A (0.42) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4128995 0.83 THRA (0.38) MEN1KMT2ASMN1; SMN2HTTTDP1
SCHEMBL4114244 0.78 KMT2A (0.47) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4122654 0.77 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL11764473 0.74 GLRA3 (0.57) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL5053296 0.74 BCL2L1 (0.53) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4122596 0.73 GLRA3 (0.49) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4113993 0.73 TP53 (0.49) MEN1KMT2ASMN1; SMN2HTTGALR3
SCHEMBL4113997 0.72 MEN1 (0.53) MEN1KMT2ASMN1; 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 MEN1 2512/4885KMT2A 2465/4885SMN1; 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.