Sugi Predict

Sugi Predict / Compounds / SCHEMBL20769504

SCHEMBL20769504

SCHEMBL20769504

CNC(=O)[C@@]1(CC(=O)OC(C)(C)C)CCC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CTSK P43235 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ KDM1A O60341 2/20 0.31
▸ MAOB P27338 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
SCHEMBL20769518 1.00 BTK (0.36) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL20769520 0.94 BTK (0.36) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL24821867 0.74 BTK (0.44) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL15191538 0.74 BTK (0.44) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL12493050 0.74 BTK (0.44) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL22203922 0.72 BTK (0.45) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL7926853 0.72 BTK (0.45) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL5800481 0.71 BTK (0.44) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL8315143 0.71 BTK (0.44) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL764581 0.71 BTK (0.44) BTKEPHX1GAAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 — — US disclosed
EP-3936190-A1 PENTACYCLIC HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2022-01-12 — — EP disclosed
EP-3680243-B1 PENTACYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2021-10-27 — — EP disclosed
CN-113453762-A Pentacyclic heterocyclic compounds 卫材R&D管理有限公司 2021-09-28 — — CN disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 — — US disclosed
EP-3680243-A1 PENTACYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2020-07-15 — — EP disclosed
US-10239889-B1 Pentacyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-26 — — US disclosed
US-20190071452-A1 PENTACYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-07 — — 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 (4 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-10239889-B1 Pentacyclic compound CYP2B6, CYP11B2, CYP3A5 BTK 4324/4885EPHX1 1007/4885GAA 456/4885
US-20190071452-A1 PENTACYCLIC COMPOUND CYP2B6, CYP3A5, CYP4A11 BTK 4552/4885EPHX1 1234/4885GAA 808/4885
US-11358972-B2 Pentacyclic heterocycles CYP2C19, CYP2C18, XDH BTK 2006/4885EPHX1 1516/4885GAA 885/4885
US-20200283452-A1 PENTACYCLIC HETEROCYCLES CYP2C19, CYP2C18, XDH BTK 2006/4885EPHX1 1516/4885GAA 885/4885

“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.