SCHEMBL21994860

SCHEMBL21994860

COC(=O)C(CC(=O)OC(C)(C)C)Cc1cccc[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KLK5 Q9Y337 2/20 0.35
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRC P08575 2/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL31326488 1.00 KMT2A (0.38) KMT2ACA2CA9KLK5ALDH1A1
SCHEMBL21994859 1.00 KMT2A (0.38) KMT2ACA2CA9KLK5ALDH1A1
SCHEMBL21978289 0.88 CA2 (0.39) CA2CA9ALDH1A1ATMKDM4E
SCHEMBL30191387 0.88 CA2 (0.39) CA2CA9ALDH1A1ATMKDM4E
SCHEMBL21978288 0.88 CA2 (0.39) CA2CA9ALDH1A1ATMKDM4E
SCHEMBL21994736 0.81 CA9 (0.35) KMT2ACA2CA9KLK5ATM
SCHEMBL21994735 0.81 CA9 (0.35) KMT2ACA2CA9KLK5ATM
SCHEMBL1915701 0.78 CA2 (0.52) KMT2ACA2CA9KLK5ATM
SCHEMBL1915705 0.78 CA2 (0.52) KMT2ACA2CA9KLK5ATM
SCHEMBL2876345 0.74 CA2 (0.51) KMT2ACA2CA9KLK5ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
EP-3887365-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2021-10-06 EP disclosed
US-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2021-08-19 US disclosed
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2021-06-08 US disclosed
WO-2020110009-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2020-06-04 WO 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-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 KMT2A 2933/4885CA2 3259/4885CA9 1177/4885
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 KMT2A 2933/4885CA2 3259/4885CA9 1177/4885
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 KMT2A 2933/4885CA2 3259/4885CA9 1177/4885

“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.