SCHEMBL21995458

SCHEMBL21995458

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
BTK Q06187 1/20 0.34
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GAA P10253 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HDAC4 P56524 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL21995460 1.00 EPHX1 (0.35) EPHX1BTKKMT2AL3MBTL1MAOA
SCHEMBL30191596 0.92 EPHX1 (0.35) EPHX1BTKKMT2AL3MBTL1GAA
SCHEMBL21994916 0.91 BTK (0.33) EPHX1BTKKMT2AL3MBTL1MAOA
SCHEMBL21994918 0.91 BTK (0.33) EPHX1BTKKMT2AL3MBTL1MAOA
SCHEMBL21994629 0.84 CTSK (0.39) EPHX1BTKMAOAMAOBGAA
SCHEMBL21994631 0.84 CTSK (0.39) EPHX1BTKMAOAMAOBGAA
SCHEMBL30191514 0.82 USP2 (0.34) EPHX1BTKL3MBTL1GAA
SCHEMBL21995002 0.78 EPHX1 (0.40) EPHX1BTKKMT2AL3MBTL1MAOA
SCHEMBL21994413 0.77 HDAC4 (0.34) KMT2AL3MBTL1MAOAMAOBHDAC4
SCHEMBL21994414 0.77 HDAC4 (0.34) KMT2AL3MBTL1MAOAMAOBHDAC4

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
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 US disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER 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 (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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 EPHX1 348/4885BTK 4194/4885KMT2A 3622/4885

“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.