SCHEMBL21068422

SCHEMBL21068422

CC(C)(C)OC(=O)NCCOCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 6/20 0.59
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
BCHE P06276 3/20 0.53
CNR2 P34972 3/20 0.53
PPARD Q03181 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
IDO1 P14902 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL926118 0.92 CA12 (0.63) SUCNR1CA12CA1CA2CA9
SCHEMBL14811632 0.89 CA12 (0.64) SUCNR1CA12CA1CA2CA9
SCHEMBL13185216 0.88 CA12 (0.57) SUCNR1CA12CA1CA2CA9
SCHEMBL31642956 0.86 BCHE (0.52) SUCNR1CA12CA1CA2CA9
SCHEMBL16906832 0.86 BCHE (0.61) SUCNR1CA12CA1CA2CA9
SCHEMBL1262630 0.85 CA12 (0.55) SUCNR1CA12CA1CA2CA9
SCHEMBL30325282 0.85 CA12 (0.57) SUCNR1CA12CA1CA2CA9
SCHEMBL30325046 0.85 CA12 (0.57) SUCNR1CA12CA1CA2CA9
SCHEMBL31584155 0.85 CA12 (0.60) SUCNR1CA12CA1CA2CA9
SCHEMBL15672736 0.85 CA12 (0.60) SUCNR1CA12CA1CA2CA9

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 3 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
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 SUCNR1 264/4885CA12 1961/4885CA1 1332/4885

“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.