SCHEMBL6035346

SCHEMBL6035346

CCCN(N(C)C)S(=O)(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
UGT1A7 Q9HAW7 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42
LPL P06858 6/20 0.40
LIPG Q9Y5X9 6/20 0.40
ESR1 P03372 4/20 0.39
CA1 P00915 3/20 0.39
SERPINE1 P05121 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL14279262 0.79 CA9 (0.54) ENPP2CA9CA12CA2RAB9A
SCHEMBL136281 0.76 ENPP2 (0.61) ENPP2CA9CA12CA2SMN1; SMN2
SCHEMBL3970902 0.76 CA9 (0.38) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL12077562 0.75 HTT (0.63) ENPP2RAB9ASMN1; SMN2SERPINE1
SCHEMBL10783150 0.72 SERPINE1 (0.52) CA9CA12CA2ESR1CA1
SCHEMBL248212 0.70 ENPP2 (0.63) ENPP2CA2LPLLIPGCA1
SCHEMBL299031 0.69 ENPP2 (0.57) ENPP2CA2LPLLIPGCA1
SCHEMBL2557686 0.69 ENPP2 (0.52) ENPP2CA2LPLLIPGCA1
SCHEMBL5706200 0.69 HDAC3 (0.50) ENPP2RAB9ASMN1; SMN2TDP1
SCHEMBL29953691 0.67 CA2 (0.55) ENPP2CA2SMN1; SMN2LPLLIPG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL ENPP2 479/4885CA9 3907/4885CA12 4770/4885

“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.