SCHEMBL831029

SCHEMBL831029

CN(C)S(=O)(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)c(CBr)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 7/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
ESR2 Q92731 1/20 0.31
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL829922 0.84 ESPL1 (0.34) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL830833 0.79 HTT (0.34) ALDH1A1HTTPOLB
SCHEMBL830877 0.76 NR3C1 (0.31)
SCHEMBL829803 0.76 MEN1 (0.30) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL17394036 0.76 LMNA (0.44) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL830424 0.74 CYP3A4 (0.33)
SCHEMBL580069 0.73 LIPG (0.33)
SCHEMBL831060 0.72 CXCR2 (0.34) KMT2AKDM4E
SCHEMBL829740 0.69
SCHEMBL829759 0.67 PDE2A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099807-B1 OXIDATION RESISTANT INDICATOR MOLECULES SENSEONICS INC (US) 2014-01-01 EP disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 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 (2 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-20110081727-A1 Oxidation Resistant Indicator Molecules AOX1, GPX4, SQOR MAPT 4290/4885KMT2A 3984/4885MEN1 4586/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR MAPT 4290/4885KMT2A 3984/4885MEN1 4586/4885

“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.