SCHEMBL21068290

SCHEMBL21068290

CC(C)(C)OC(=O)NCCOCCn1cc(C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
IDO1 P14902 1/20 0.39
SCN9A Q15858 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL18764806 0.89 L3MBTL1 (0.55) L3MBTL1ADORA2AADORA3IDO1ALDH1A1
SCHEMBL20140741 0.87 L3MBTL1 (0.52) L3MBTL1ALDH1A1GFERMEN1GAA
SCHEMBL21069046 0.87 MAPT (0.39) L3MBTL1ADORA2AADORA1ADORA3IDO1
SCHEMBL21070133 0.86 ADORA2A (0.41) ADORA2AADORA1ADORA3IDO1SCN9A
SCHEMBL21069564 0.86 ADORA2A (0.41) ADORA2AADORA1ADORA3IDO1SCN9A
SCHEMBL21107361 0.82 HRH3 (0.38) ADORA2AADORA1ADORA3IDO1SCN9A
SCHEMBL21106760 0.82 HRH3 (0.38) ADORA2AADORA1ADORA3IDO1SCN9A
SCHEMBL21070435 0.80 ALDH1A1 (0.40) L3MBTL1HRH3ALDH1A1CA12CA1
SCHEMBL21070679 0.80 ALDH1A1 (0.40) L3MBTL1HRH3ALDH1A1CA12CA1
SCHEMBL21069602 0.80 ALDH1A1 (0.40) L3MBTL1HRH3ALDH1A1CA12CA1

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
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 L3MBTL1 307/4885ADORA2A 183/4885ADORA1 110/4885

“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.