SCHEMBL9908799

SCHEMBL9908799

COCCN1OC[C@@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CTSK P43235 2/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BTK Q06187 1/20 0.34
DRD2 P14416 2/20 0.34
KCNA3 P22001 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
ATM Q13315 1/20 0.34
DRD3 P35462 1/20 0.33
NAAA Q02083 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL4760849 1.00 GAA (0.47) GAANFKB1NFKB2RELACTSK
SCHEMBL2011320 0.87 GAA (0.49) GAANFKB1NFKB2RELACTSK
SCHEMBL2011317 0.87 GAA (0.49) GAANFKB1NFKB2RELACTSK
SCHEMBL2010969 0.84 GAA (0.51) GAANFKB1NFKB2RELACTSK
SCHEMBL2010967 0.84 GAA (0.51) GAANFKB1NFKB2RELACTSK
SCHEMBL4760825 0.83 GAA (0.45) GAANFKB1NFKB2RELACTSK
SCHEMBL13412299 0.81 GAA (0.43) GAANFKB1NFKB2RELACTSK
SCHEMBL14845201 0.81 GAA (0.48) GAANFKB1NFKB2RELACTSK
SCHEMBL14844368 0.81 GAA (0.48) GAANFKB1NFKB2RELACTSK
SCHEMBL12274513 0.80 GAA (0.47) GAANFKB1NFKB2RELACTSK

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-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 US disclosed
WO-2008153942-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-12-18 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-20100144768-A1 KINASE INHIBITOR COMPOUNDS MAP3K9, MAP3K1, MAP3K8 GAA 1840/4885NFKB1 663/4885NFKB2 763/4885

“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.