SCHEMBL829922

SCHEMBL829922

CC(C)(O)C(C)(C)OB(O)c1ccc(S(=O)(=O)C(F)(F)F)cc1CBr

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESPL1 Q14674 1/20 0.34
EPAS1 Q99814 11/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
PTPRZ1 P23471 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL831029 0.84 MAPT (0.36) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL829442 0.83 EPAS1 (0.39) ESPL1EPAS1ALDH1A1LMNAPOLB
SCHEMBL830424 0.79 CYP3A4 (0.33)
SCHEMBL830877 0.79 NR3C1 (0.31)
SCHEMBL830833 0.79 HTT (0.34) ALDH1A1POLBHTT
SCHEMBL831060 0.77 CXCR2 (0.34) KMT2A
SCHEMBL829803 0.76 MEN1 (0.30) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL580069 0.73 LIPG (0.33)
SCHEMBL3829832 0.72 HSD11B1 (0.31)
SCHEMBL829759 0.72 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 7 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
EP-2099807-A2 OXIDATION RESISTANT INDICATOR MOLECULES Sensors For Medicine And Science, Inc. (US) 2009-09-16 EP disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
WO-2008066921-A2 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-05 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 (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 ESPL1 2916/4885EPAS1 2679/4885ALDH1A1 129/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR ESPL1 2916/4885EPAS1 2679/4885ALDH1A1 129/4885

“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.