SCHEMBL21166486

SCHEMBL21166486

CN[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
BTK Q06187 1/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CTSK P43235 2/20 0.40
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.38
EPHX2 P34913 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAOA P21397 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL22339495 0.93 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL30191398 0.87 GAA (0.44) GAABTKNFKB1NFKB2RELA
SCHEMBL18926195 0.87 GAA (0.44) GAABTKNFKB1NFKB2RELA
SCHEMBL16654388 0.86 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL4697421 0.83 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL20689298 0.83 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL18595288 0.83 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL14863459 0.83 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL31731133 0.83 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL17854941 0.83 GAA (0.49) GAABTKNFKB1NFKB2RELA

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-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 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 (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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC GAA 2218/4885BTK 211/4885NFKB1 2306/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK GAA 3572/4885BTK 342/4885NFKB1 1679/4885

“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.