SCHEMBL4083324

SCHEMBL4083324

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
KDM1A O60341 2/20 0.43
GAA P10253 2/20 0.42
MAOB P27338 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CTSK P43235 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
EPHX1 P07099 1/20 0.38
MAOA P21397 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 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
SCHEMBL7269198 1.00 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL12096427 1.00 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL3305502 1.00 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL765258 1.00 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL13378898 1.00 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL4367463 0.94 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL4367460 0.94 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL17961679 0.94 BTK (0.46) BTKKDM1AGAAMAOBNFKB1
SCHEMBL1988095 0.89 BTK (0.47) BTKKDM1AGAAMAOBNFKB1
SCHEMBL4713065 0.88 BTK (0.45) BTKKDM1AGAAMAOBNFKB1

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
EP-1755610-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005117890-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE ASTRAZENECA AB (SE) 2005-12-15 WO claimed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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 (3 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 BTK 1597/4885KDM1A 498/4885GAA 4312/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 BTK 1597/4885KDM1A 498/4885GAA 4312/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BTK 1123/4885KDM1A 443/4885GAA 4278/4885

“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.