SCHEMBL3057231

SCHEMBL3057231

CC1(C)CC(C(=O)OCCl)C(C)(C)N1O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC18A2 Q05940 1/20 0.36
HTT P42858 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
SCHEMBL21908618 0.87 GAA (0.44) GAAL3MBTL1SLC18A2HTT
SCHEMBL12846027 0.86 GAA (0.42) GAAL3MBTL1SLC18A2
SCHEMBL21908619 0.84 GAA (0.41) GAAL3MBTL1SLC18A2
SCHEMBL21908629 0.84 GAA (0.41) GAAL3MBTL1SLC18A2
SCHEMBL3057229 0.84 SLC18A2 (0.30) SLC18A2
SCHEMBL21908632 0.84 GAA (0.41) GAAL3MBTL1SLC18A2
SCHEMBL21103469 0.83 GAA (0.40) GAAL3MBTL1SLC18A2
SCHEMBL21908653 0.83 GAA (0.40) GAAL3MBTL1SLC18A2
SCHEMBL21908620 0.83 GAA (0.40) GAAL3MBTL1SLC18A2
SCHEMBL21908621 0.83 GAA (0.40) GAAL3MBTL1SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100260684-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-14 US disclosed
EP-2162157-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES University Of Maryland Biotechnology Institute (US) 2010-03-17 EP disclosed
WO-2008151112-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2008-12-11 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 (1 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-20100260684-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES APEH, LPO, ALKBH3 GAA 751/4885L3MBTL1 1004/4885SLC18A2 421/4885

“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.