SCHEMBL10053192

SCHEMBL10053192

CN(C)S(=O)(=O)c1ccc(B2OCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL10053181 0.82 CA1 (0.43) LMNAALDH1A1SMN1; SMN2HTTCA1
SCHEMBL500078 0.75 CA1 (0.53) CA1CA2PDE4APDE4BPDE4C
SCHEMBL500335 0.72 CA1 (0.47) CA1CA2PDE4APDE4BPDE4C
SCHEMBL596495 0.72 CA1 (0.47) CA1CA2TSHRPDE4APDE4B
SCHEMBL27606629 0.69 LMNA (0.47) LMNAALDH1A1SMN1; SMN2HTTHTR2C
SCHEMBL4073854 0.66 LMNA (0.63) LMNAALDH1A1SMN1; SMN2HTTCA1
SCHEMBL10053280 0.66 CA1 (0.43) ALDH1A1SMN1; SMN2CA1CA2MEN1
SCHEMBL10053164 0.65 CA1 (0.50) ALDH1A1SMN1; SMN2CA1CA2TSHR
SCHEMBL182738 0.65 LMNA (0.67) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL596193 0.65 CA1 (0.42) LMNAALDH1A1HTTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US 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-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA LMNA 1041/4885ALDH1A1 2088/4885SMN1; SMN2 1509/4885

“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.