SCHEMBL2124559

SCHEMBL2124559

CC(C)(C[N+](=O)[O-])C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ACLY P53396 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CPA1 P15085 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16555194 0.80 HIF1A (0.37) HIF1AMEN1LMNABLMHBB
SCHEMBL20919831 0.78 TET2 (0.40) HIF1AMEN1LMNABLMHBB
SCHEMBL4303348 0.76 HIF1A (0.44) HIF1AMEN1LMNABLMHBB
SCHEMBL22804847 0.75 NPSR1 (0.39) MEN1KMT2ATSHRALDH1A1CYP2C19
SCHEMBL28602898 0.74 MEN1 (0.40) HIF1AMEN1LMNABLMHBB
SCHEMBL28215158 0.72 CYP4F2 (0.46) ALDH1A1KDM4E
SCHEMBL17647425 0.71 ALDH1A1 (0.38) HIF1AMEN1LMNABLMHBB
SCHEMBL12378591 0.71 KDM4E (0.46) HIF1AMEN1LMNABLMHBB
SCHEMBL2020575 0.70
SCHEMBL3814475 0.70 TSHR (0.40) HIF1AMEN1LMNABLMHBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
CN-101389628-B Indolopyridines as EG5 kinesin modulators 4SC AG 2013-02-27 CN disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 HIF1A 2125/4885MEN1 1146/4885LMNA 2505/4885

“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.