SCHEMBL17260538

SCHEMBL17260538

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](OC=O)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.52
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CTSK P43235 2/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ JAK1 P23458 2/20 0.36

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
SCHEMBL17220409 1.00 BTK (0.52) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL9990454 1.00 BTK (0.52) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL1662046 1.00 BTK (0.52) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL8610183 1.00 BTK (0.52) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL18349366 0.91 BTK (0.61) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL4488186 0.91 BTK (0.61) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL384011 0.91 BTK (0.48) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL895954 0.91 BTK (0.50) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL23185559 0.83 BTK (0.56) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL22627196 0.83 BTK (0.56) BTKKDM1AMAOBCTSKKMT2A

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-20150329541-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-11-19 — — 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-20150329541-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BTK 2336/4885KDM1A 4149/4885MAOB 3824/4885

“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.

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