SCHEMBL10060056

SCHEMBL10060056

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
USP30 Q70CQ3 3/20 0.39
PDE4B Q07343 2/20 0.38
EPHX1 P07099 1/20 0.37
HSD11B1 P28845 2/20 0.37
DGAT2 Q96PD7 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSK P43235 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM5A P29375 1/20 0.34

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
SCHEMBL513514 0.87 USP30 (0.39) NR1H2USP30PDE4BEPHX1DGAT2
SCHEMBL458367 0.87 PDE4B (0.46) NR1H2USP30PDE4BEPHX1HSD11B1
SCHEMBL2189808 0.87 PDE4B (0.46) NR1H2USP30PDE4BEPHX1HSD11B1
SCHEMBL12206711 0.83 HSD11B1 (0.48) NR1H2USP30EPHX1HSD11B1NPC1
SCHEMBL3608719 0.81 NR1H2 (0.44) NR1H2USP30PDE4BEPHX1DGAT2
SCHEMBL4984187 0.81 USP30 (0.45) NR1H2USP30PDE4BEPHX1DGAT2
SCHEMBL31085644 0.81 NR1H2 (0.44) NR1H2USP30PDE4BEPHX1NPC1
SCHEMBL34474671 0.81 NR1H2 (0.44) NR1H2USP30PDE4BEPHX1NPC1
SCHEMBL4984190 0.81 USP30 (0.45) NR1H2USP30PDE4BEPHX1DGAT2
SCHEMBL2192055 0.80 NR1H2 (0.43) NR1H2USP30PDE4BEPHX1DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492397-B2 Aminopyridine derivatives having Aurora A selective inhibitory action VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-23 US disclosed
US-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-02-02 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 (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-20120029004-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB NR1H2 3038/4885USP30 2623/4885PDE4B 2514/4885

“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.