SCHEMBL16611529

SCHEMBL16611529

CC(C)(C)OC(=O)NNC1CCCC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
BTK Q06187 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
APLNR P35414 1/20 0.36
EPHX1 P07099 1/20 0.36
CTSK P43235 4/20 0.33
CTSS P25774 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL22203922 0.85 BTK (0.45) GAABTKKMT2AMEN1MAPK1
SCHEMBL7926853 0.85 BTK (0.45) GAABTKKMT2AMEN1MAPK1
SCHEMBL27120431 0.78 GAA (0.39) GAABTKKMT2AMEN1MAPK1
SCHEMBL27120430 0.78 GAA (0.39) GAABTKKMT2AMEN1MAPK1
SCHEMBL27120429 0.78 GAA (0.39) GAABTKKMT2AMEN1MAPK1
SCHEMBL24008042 0.77 GAA (0.40) GAABTKKMT2AMEN1MAPK1
SCHEMBL15600327 0.75 GAA (0.44) GAABTKKMT2AMEN1MAPK1
SCHEMBL24008053 0.75 GAA (0.38) GAABTKKMT2AMEN1MAPK1
SCHEMBL2493608 0.75 BTK (0.46) GAABTKKMT2AEPHX1CTSK
SCHEMBL24439188 0.75 BTK (0.44) GAABTKKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 GAA 3598/4885BTK 117/4885KMT2A 105/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 GAA 3598/4885BTK 117/4885KMT2A 105/4885

“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.