SCHEMBL21994677

SCHEMBL21994677

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
FDFT1 P37268 2/20 0.35
LTA4H P09960 3/20 0.35
REN P00797 1/20 0.34
APP P05067 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21994680 1.00 CA2 (0.36) CA2CA9FDFT1LTA4HREN
SCHEMBL30191543 0.90 CA2 (0.39) CA2CA9FDFT1LTA4HOPRM1
SCHEMBL21994482 0.89 FDFT1 (0.37) FDFT1LTA4HOPRM1OPRK1MEN1
SCHEMBL21994480 0.89 FDFT1 (0.37) FDFT1LTA4HOPRM1OPRK1MEN1
SCHEMBL21994748 0.85 CA2 (0.35) CA2CA9LTA4HRENAPP
SCHEMBL21994747 0.85 CA2 (0.35) CA2CA9LTA4HRENAPP
SCHEMBL30191554 0.85 PTPN1 (0.38) RENCCKARCCKBROPRD1
SCHEMBL21994532 0.83 REN (0.34) CA2CA9LTA4HRENCCKAR
SCHEMBL21994534 0.83 REN (0.34) CA2CA9LTA4HRENCCKAR
SCHEMBL30191711 0.83 LTA4H (0.32) LTA4HOPRM1OPRK1

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 CA2 3021/4885CA9 532/4885FDFT1 1274/4885

“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.