SCHEMBL829442

SCHEMBL829442

Cc1cc(S(=O)(=O)C(F)(F)F)ccc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 7/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESPL1 Q14674 1/20 0.35
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 1/20 0.33
MAPK1 P28482 1/20 0.32
PTPRZ1 P23471 1/20 0.31
PTPN1 P18031 1/20 0.31
HSD11B1 P28845 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
SCHEMBL829922 0.83 ESPL1 (0.34) EPAS1POLBALDH1A1MEN1KMT2A
SCHEMBL3825600 0.80 POLB (0.48) EPAS1POLBALDH1A1MEN1KMT2A
SCHEMBL6312251 0.76
SCHEMBL3829832 0.76 HSD11B1 (0.31) HSD11B1
SCHEMBL831221 0.74 POLB (0.34) POLBMEN1KMT2ALMNAHTT
SCHEMBL12095223 0.71 HSD17B10 (0.32)
SCHEMBL29957896 0.71 POLB (0.48) EPAS1POLBALDH1A1MEN1KMT2A
SCHEMBL12537977 0.71 POLB (0.48) EPAS1POLBALDH1A1MEN1KMT2A
SCHEMBL15021648 0.71 RAB9A (0.41) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL15367231 0.70 AR (0.34) ALDH1A1

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 EPAS1 2679/4885POLB 412/4885ALDH1A1 129/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR EPAS1 2679/4885POLB 412/4885ALDH1A1 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.