SCHEMBL13407396

SCHEMBL13407396

CC(C)(C)OC(=O)N[C@H]1CC[C@](O)(C(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
CTSK P43235 2/20 0.43
GAA P10253 2/20 0.42
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
HSD11B1 P28845 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL3584177 1.00 BTK (0.47) BTKCTSKGAAEPHX1KDM1A
SCHEMBL572248 0.86 BTK (0.51) BTKCTSKGAAEPHX1KDM1A
SCHEMBL31532140 0.83 BTK (0.46) BTKCTSKGAAEPHX1KDM1A
SCHEMBL12508237 0.82 BTK (0.50) BTKCTSKGAAEPHX1KDM1A
SCHEMBL2195440 0.82 BTK (0.50) BTKCTSKGAAEPHX1KDM1A
SCHEMBL1033706 0.82 BTK (0.50) BTKCTSKGAAEPHX1KDM1A
SCHEMBL5263809 0.81 BTK (0.47) BTKCTSKGAAEPHX1KDM1A
SCHEMBL14751434 0.81 BTK (0.49) BTKCTSKGAAEPHX1KDM1A
SCHEMBL28978038 0.81 BTK (0.49) BTKCTSKGAAEPHX1KDM1A
SCHEMBL6800354 0.81 BTK (0.43) BTKCTSKGAAEPHX1KDM1A

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-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 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-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH BTK 2825/4885CTSK 884/4885GAA 4056/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS BTK 2875/4885CTSK 295/4885GAA 946/4885

“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.