SCHEMBL21994918

SCHEMBL21994918

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.33
EPHX1 P07099 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 0.30
CTSK P43235 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21994916 1.00 BTK (0.33) BTKEPHX1MAOAMAOBGAA
SCHEMBL30191514 0.92 USP2 (0.34) BTKEPHX1GAAL3MBTL1
SCHEMBL21995460 0.91 EPHX1 (0.35) BTKEPHX1MAOAMAOBGAA
SCHEMBL21995458 0.91 EPHX1 (0.35) BTKEPHX1MAOAMAOBGAA
SCHEMBL21994631 0.84 CTSK (0.39) BTKEPHX1MAOAMAOBGAA
SCHEMBL21994629 0.84 CTSK (0.39) BTKEPHX1MAOAMAOBGAA
SCHEMBL30191596 0.82 EPHX1 (0.35) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL21994413 0.76 HDAC4 (0.34) MAOAMAOBKMT2AL3MBTL1
SCHEMBL21994414 0.76 HDAC4 (0.34) MAOAMAOBKMT2AL3MBTL1
SCHEMBL21995157 0.76 KMT2A (0.36) MAOAMAOBKMT2AL3MBTL1

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 BTK 4194/4885EPHX1 348/4885MAOA 2275/4885

“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.