SCHEMBL829803

SCHEMBL829803

CC(C)(O)C(C)(C)OB(O)c1ccc(Cl)cc1CBr

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HSPD1 P10809 1/20 0.30
HSPA5 P11021 1/20 0.30
IDO1 P14902 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL830877 0.83 NR3C1 (0.31)
SCHEMBL830424 0.81 CYP3A4 (0.33) CYP3A4IDO1
SCHEMBL580069 0.80 LIPG (0.33)
SCHEMBL831221 0.80 POLB (0.34) MEN1LMNACYP3A4HPGDHTT
SCHEMBL831060 0.79 CXCR2 (0.34) KMT2A
SCHEMBL17392999 0.78 CYP3A4 (0.37) MEN1LMNACYP3A4MAPTHPGD
SCHEMBL830833 0.78 HTT (0.34) CYP3A4HTT
SCHEMBL829922 0.76 ESPL1 (0.34) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL831029 0.76 MAPT (0.36) MEN1LMNAMAPTHTTKMT2A
SCHEMBL829740 0.75

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 MEN1 4586/4885SLC22A1 576/4885USP2 2224/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR MEN1 4586/4885SLC22A1 576/4885USP2 2224/4885

“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.