SCHEMBL513514

SCHEMBL513514

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.39
NR1H2 P55055 1/20 0.36
DHODH Q02127 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
PDE4B Q07343 1/20 0.36
EPHX1 P07099 1/20 0.34
RORC P51449 1/20 0.34
CTSK P43235 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
MGLL Q99685 1/20 0.32

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
SCHEMBL15369316 0.88 USP30 (0.38) USP30NR1H2DHODHDGAT2PDE4B
SCHEMBL10060056 0.87 NR1H2 (0.43) USP30NR1H2DGAT2PDE4BEPHX1
SCHEMBL15117746 0.85 CTSK (0.35) CTSKMGLL
SCHEMBL2189808 0.83 PDE4B (0.46) USP30NR1H2DGAT2PDE4BEPHX1
SCHEMBL458367 0.83 PDE4B (0.46) USP30NR1H2DGAT2PDE4BEPHX1
SCHEMBL2192233 0.79 USP30 (0.43) USP30NR1H2DGAT2PDE4BEPHX1
SCHEMBL4984187 0.77 USP30 (0.45) USP30NR1H2DGAT2PDE4BEPHX1
SCHEMBL4984190 0.77 USP30 (0.45) USP30NR1H2DGAT2PDE4BEPHX1
SCHEMBL31085644 0.77 NR1H2 (0.44) USP30NR1H2PDE4BEPHX1NPC1
SCHEMBL3608719 0.77 NR1H2 (0.44) USP30NR1H2DGAT2PDE4BEPHX1

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-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
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 USP30 2623/4885NR1H2 3038/4885DHODH 2006/4885

“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.