SCHEMBL20904043

SCHEMBL20904043

C=C1/C=C\CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ NFKB1 P19838 7/20 0.43
▸ NFKB2 Q00653 7/20 0.43
▸ RELA Q04206 7/20 0.43
▸ EPHX2 P34913 1/20 0.38
▸ BTK Q06187 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL8645381 0.80 NFKB1 (0.50) GAANFKB1NFKB2RELAEPHX2
SCHEMBL8397801 0.80 NFKB1 (0.50) GAANFKB1NFKB2RELAEPHX2
SCHEMBL27022473 0.78 GAA (0.50) GAANFKB1NFKB2RELAEPHX2
SCHEMBL27419986 0.77 GAA (0.46) GAANFKB1NFKB2RELAEPHX2
SCHEMBL27419914 0.75 GAA (0.44) GAANFKB1NFKB2RELAEPHX2
SCHEMBL12367685 0.74 GAA (0.55) GAA
SCHEMBL2176628 0.74 GAA (0.55) GAA
SCHEMBL23513495 0.72 GAA (0.59) GAANFKB1NFKB2RELAEPHX2
SCHEMBL4760856 0.72 GAA (0.59) GAANFKB1NFKB2RELAEPHX2
SCHEMBL14277693 0.72 GAA (0.59) GAANFKB1NFKB2RELAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 — — 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-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GAA 2016/4885NFKB1 1232/4885NFKB2 1292/4885

“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.

Send feedback