SCHEMBL21994417

SCHEMBL21994417

CC(C)(C)OC(=O)N[C@@H](CCCN1CCOCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 3/20 0.43
CD274 Q9NZQ7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TACR2 P21452 6/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL21994419 1.00 CTSK (0.44) CTSKCTSLCTSBCTSSCD274
SCHEMBL31407357 0.96 CTSK (0.43) CTSKCTSLCTSBCTSSCD274
SCHEMBL8271010 0.92 CTSK (0.43) CTSKCTSLCTSBCTSSCD274
SCHEMBL30191537 0.90 CTSK (0.44) CTSKCTSLCTSBCTSSCD274
SCHEMBL21994809 0.88 CTSK (0.47) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL21994806 0.88 CTSK (0.47) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL267944 0.87 CTSK (0.46) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL21837532 0.85 PPARA (0.46) CTSKCTSLCTSBCTSSCD274
SCHEMBL21837534 0.85 PPARA (0.46) CTSKCTSLCTSBCTSSCD274
SCHEMBL5354771 0.84 ALDH1A1 (0.48) CTSKCTSLCTSBCTSSCD274

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 CTSK 644/4885CTSL 686/4885CTSB 966/4885

“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.