SCHEMBL20498564

SCHEMBL20498564

COC1CC(NC(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD11B1 P28845 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CHRM4 P08173 1/20 0.42
RORC P51449 2/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSL P07711 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SYK P43405 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
ABCB1 P08183 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL376879 1.00 PDE4B (0.53) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL4131437 1.00 PDE4B (0.53) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL25072073 0.92 HSD11B1 (0.48) PDE4BKMT2AL3MBTL1HSD11B1CTSL
SCHEMBL13456796 0.92 KMT2A (0.55) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL14428325 0.92 KMT2A (0.55) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL2821598 0.89 PDE4B (0.54) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL4120545 0.88 PDE4B (0.48) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL1722459 0.88 PDE4B (0.51) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL11978265 0.88 KMT2A (0.51) PDE4BKMT2AL3MBTL1HSD11B1HTT
SCHEMBL1710360 0.88 SMN1; SMN2 (0.51) PDE4BKMT2AL3MBTL1HSD11B1HTT

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-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 US disclosed
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 US disclosed
CN-111247136-A Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating diseases and disorders associated with IRE1 吉宁特有限公司 2020-06-05 CN disclosed
US-20180265497-A1 PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS GENENTECH, INC. (US) 2018-09-20 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-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders XBP1, ERN1, ATF4 PDE4B 1221/4885KMT2A 4455/4885L3MBTL1 3192/4885
US-20180265497-A1 PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS XBP1, ERN1, ATF4 PDE4B 1221/4885KMT2A 4455/4885L3MBTL1 3192/4885

“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.