SCHEMBL21994747

SCHEMBL21994747

COCC(NC(=O)C(N)CCF)C(=O)N(C)C(CC(=O)NCC(C)N(C)C(=O)C(CC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
REN P00797 9/20 0.33
LTA4H P09960 1/20 0.32
APP P05067 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MMP1 P03956 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL21994748 1.00 CA2 (0.35) CA2CA9RENLTA4HAPP
SCHEMBL21994534 0.91 REN (0.34) CA2CA9RENLTA4H
SCHEMBL21994532 0.91 REN (0.34) CA2CA9RENLTA4H
SCHEMBL30191309 0.85 PTPN1 (0.42)
SCHEMBL21994677 0.85 CA2 (0.36) CA2CA9RENLTA4HAPP
SCHEMBL21994680 0.85 CA2 (0.36) CA2CA9RENLTA4HAPP
SCHEMBL21994482 0.84 FDFT1 (0.37) LTA4HOPRM1OPRK1
SCHEMBL21994480 0.84 FDFT1 (0.37) LTA4HOPRM1OPRK1
SCHEMBL30191543 0.83 CA2 (0.39) CA2CA9LTA4HOPRM1OPRK1
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 532/4885REN 14/4885

“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.