SCHEMBL4128989

SCHEMBL4128989

Cc1c(S(=O)(=O)Cc2ccccn2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 3/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
METAP2 P50579 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FEN1 P39748 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4121668 0.83 GLRA3 (0.49) GAAMEN1KMT2AGLRA3GLRB
SCHEMBL4136193 0.78 GAA (0.44) GAAMEN1KMT2AGLRA3GLRB
SCHEMBL4126146 0.78 GLRA3 (0.43) GAAMEN1KMT2AGLRA3GLRB
SCHEMBL4127836 0.77 GLRA3 (0.44) KMT2AGLRA3GLRBALDH1A1NPSR1
SCHEMBL4116222 0.76 GLRA3 (0.46) MEN1KMT2AGLRA3GLRBALDH1A1
SCHEMBL4114644 0.75 GLRA3 (0.42) MEN1KMT2AGLRA3GLRBALDH1A1
SCHEMBL4127736 0.74 GLRA3 (0.53) GAAMEN1KMT2AGLRA3GLRB
SCHEMBL4128451 0.69 GLRA3 (0.46) MEN1KMT2AGLRA3GLRBALDH1A1
SCHEMBL4133103 0.69 GLRA3 (0.51) GAAMEN1KMT2AGLRA3GLRB
SCHEMBL4120814 0.68 GLRA3 (0.48) GAAMEN1KMT2AGLRA3GLRB

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 GAA 831/4885MEN1 2512/4885KMT2A 2465/4885

“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.