SCHEMBL21994631

SCHEMBL21994631

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.39
CTSS P25774 8/20 0.39
BTK Q06187 1/20 0.33
EPHX1 P07099 1/20 0.32
KCNA3 P22001 1/20 0.32
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GAA P10253 1/20 0.31
CTSH P09668 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
SCHEMBL21994629 1.00 CTSK (0.39) CTSKCTSSBTKEPHX1KCNA3
SCHEMBL30191623 0.92 CTSK (0.36) CTSKCTSSBTKEPHX1CTSL
SCHEMBL21995458 0.84 EPHX1 (0.35) CTSKCTSSBTKEPHX1MAOA
SCHEMBL21995460 0.84 EPHX1 (0.35) CTSKCTSSBTKEPHX1MAOA
SCHEMBL21994916 0.84 BTK (0.33) CTSKCTSSBTKEPHX1MAOA
SCHEMBL21994918 0.84 BTK (0.33) CTSKCTSSBTKEPHX1MAOA
SCHEMBL30191596 0.76 EPHX1 (0.35) BTKEPHX1GAA
SCHEMBL21994414 0.76 HDAC4 (0.34) MAOAMAOB
SCHEMBL21994413 0.76 HDAC4 (0.34) MAOAMAOB
SCHEMBL21995157 0.76 KMT2A (0.36) KCNA3MAOAMAOB

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
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
CN-113166101-A Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN 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 CTSK 644/4885CTSS 703/4885BTK 4194/4885

“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.