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SCHEMBL24218642

SCHEMBL24218642

CC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 9/20 0.53
▸ CD274 Q9NZQ7 2/20 0.52
▸ PDCD1 Q15116 1/20 0.52
▸ CIB1 Q99828 2/20 0.50
▸ KLK5 Q9Y337 2/20 0.49
▸ ALB P02768 1/20 0.47
▸ PLAU P00749 2/20 0.46
▸ CTSG P08311 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46

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
SCHEMBL24218687 1.00 KLKB1 (0.53) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218688 1.00 KLKB1 (0.53) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218596 0.98 KLKB1 (0.55) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218690 0.98 KLKB1 (0.55) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218685 0.98 KLKB1 (0.55) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218603 0.96 KLKB1 (0.53) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218656 0.96 KLKB1 (0.56) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218590 0.96 KLKB1 (0.57) KLKB1CD274PDCD1KLK5ALB
SCHEMBL24218640 0.95 CD274 (0.50) KLKB1CD274PDCD1CIB1KLK5
SCHEMBL24218602 0.94 CD274 (0.53) KLKB1CD274PDCD1CIB1KLK5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024981-A1 CYCLIC PEPTIDES AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2022-01-27 — — US 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-20220024981-A1 CYCLIC PEPTIDES AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 KLKB1 67/4885CD274 3229/4885PDCD1 1778/4885

“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.

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