SCHEMBL21994534

SCHEMBL21994534

CCC(=O)N[C@H](CCF)C(=O)N[C@H](COC)C(=O)N(C)[C@@H](CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](CC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.34
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LTA4H P09960 1/20 0.33
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
OPRD1 P41143 1/20 0.32
PSMB11 A5LHX3 2/20 0.32
PSMA7 O14818 2/20 0.32
PSMB1 P20618 2/20 0.32
PSMA1 P25786 2/20 0.32
PSMA2 P25787 2/20 0.32
PSMA3 P25788 2/20 0.32
PSMA4 P25789 2/20 0.32
PSMB8 P28062 2/20 0.32
PSMB9 P28065 2/20 0.32
PSMA5 P28066 2/20 0.32
PSMB4 P28070 2/20 0.32
PSMB6 P28072 2/20 0.32
PSMB5 P28074 2/20 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
SCHEMBL21994532 1.00 REN (0.34) RENCA2CA9LTA4HCCKAR
SCHEMBL21994748 0.91 CA2 (0.35) RENCA2CA9LTA4H
SCHEMBL21994747 0.91 CA2 (0.35) RENCA2CA9LTA4H
SCHEMBL30191309 0.88 PTPN1 (0.42)
SCHEMBL21994677 0.83 CA2 (0.36) RENCA2CA9LTA4HCCKAR
SCHEMBL21994680 0.83 CA2 (0.36) RENCA2CA9LTA4HCCKAR
SCHEMBL21994480 0.82 FDFT1 (0.37) LTA4H
SCHEMBL21994482 0.82 FDFT1 (0.37) LTA4H
SCHEMBL21994700 0.81 PTPN1 (0.42)
SCHEMBL30191711 0.80 LTA4H (0.32) LTA4H

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 REN 14/4885CA2 3021/4885CA9 532/4885

“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.