Sugi Predict

Sugi Predict / Compounds / SCHEMBL21994397

SCHEMBL21994397

SCHEMBL21994397

CN(C(=O)[C@@H](CC(=O)O)Cc1ccccc1)[C@@H]1CCOC[C@H]1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 2/20 0.43
▸ CPB1 P15086 1/20 0.43
▸ CPA3 P15088 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ LTA4H P09960 3/20 0.39
▸ FFAR2 O15552 5/20 0.38
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ MLNR O43193 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ TBXAS1 P24557 1/20 0.35
▸ ADRA1A P35348 1/20 0.35

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
SCHEMBL28619292 1.00 CPA1 (0.43) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL21994399 1.00 CPA1 (0.43) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL28619288 1.00 CPA1 (0.43) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL30191669 0.90 ITGB1 (0.38) LTA4HMLNRABCB11LMNACTSD
SCHEMBL30191824 0.90 ITGB1 (0.38) LTA4HMLNRABCB11LMNACTSD
SCHEMBL30191684 0.81 FFAR2 (0.32) FFAR2MLNRABCB11LMNACTSD
SCHEMBL21995147 0.79 KMT2A (0.40) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL21995149 0.79 KMT2A (0.40) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL30191593 0.74 ABCB1 (0.40) LTA4H
SCHEMBL30191155 0.72 KMT2A (0.39) —

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 CPA1 266/4885CPB1 57/4885CPA3 1019/4885

“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.