SCHEMBL20769520

SCHEMBL20769520

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
EPHX1 P07099 1/20 0.34
GAA P10253 2/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 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 1/20 0.31
MAOB P27338 1/20 0.31
EPHX2 P34913 1/20 0.30

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 0.94 BTK (0.36) BTKEPHX1GAACA2KMT2A
SCHEMBL20769504 0.94 BTK (0.36) BTKEPHX1GAACA2KMT2A
SCHEMBL15191538 0.73 BTK (0.44) BTKEPHX1GAACA2KMT2A
SCHEMBL12493050 0.73 BTK (0.44) BTKEPHX1GAACA2KMT2A
SCHEMBL24821867 0.73 BTK (0.44) BTKEPHX1GAACA2KMT2A
SCHEMBL27936020 0.73 BTK (0.37) BTKEPHX1GAACA2CA12
SCHEMBL22203922 0.71 BTK (0.45) BTKEPHX1GAACA2KMT2A
SCHEMBL7926853 0.71 BTK (0.45) BTKEPHX1GAACA2KMT2A
SCHEMBL23285227 0.71 EPHX1 (0.42) BTKEPHX1GAACA2KMT2A
SCHEMBL13687833 0.71 BTK (0.42) BTKEPHX1GAACA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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

“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.