SCHEMBL831060

SCHEMBL831060

CC(C)(O)C(C)(C)OB(O)c1ccc(OC(F)(F)F)cc1CBr

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CXCR1 P25024 1/20 0.33
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
MAOA P21397 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
SCHEMBL16428420 0.82 CXCR2 (0.43) CXCR2NR1H2NR1H3CXCR1GPR3
SCHEMBL830424 0.82 CYP3A4 (0.33)
SCHEMBL830877 0.82 NR3C1 (0.31)
SCHEMBL829803 0.79 MEN1 (0.30) KMT2A
SCHEMBL829922 0.77 ESPL1 (0.34) KMT2A
SCHEMBL580069 0.76 LIPG (0.33)
SCHEMBL938532 0.75 PDE2A (0.33)
SCHEMBL829759 0.74 PDE2A (0.33)
SCHEMBL830833 0.74 HTT (0.34)
SCHEMBL2800048 0.74 GPR3 (0.38) CXCR2CXCR1GPR3

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 CXCR2 3277/4885NR1H2 1481/4885NR1H3 1377/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR CXCR2 3277/4885NR1H2 1481/4885NR1H3 1377/4885

“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.