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SCHEMBL24218671

SCHEMBL24218671

CC(C)[C@@H]1NC(=O)C(Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)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 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 12/20 0.58
▸ CD274 Q9NZQ7 2/20 0.55
▸ PDCD1 Q15116 1/20 0.55
▸ ITGB3 P05106 1/20 0.54
▸ ITGB1 P05556 1/20 0.54
▸ ITGAV P06756 1/20 0.54
▸ ITGA5 P08648 1/20 0.54
▸ ITGB5 P18084 1/20 0.54
▸ CTSG P08311 1/20 0.52
▸ PLAU P00749 2/20 0.49
▸ PCSK9 Q8NBP7 1/20 0.48
▸ KRAS P01116 1/20 0.48

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
SCHEMBL24218675 0.94 KLKB1 (0.59) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218673 0.94 KLKB1 (0.58) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218598 0.94 KLKB1 (0.59) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218595 0.94 KLKB1 (0.59) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218652 0.93 KLKB1 (0.57) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218644 0.92 KLKB1 (0.54) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218641 0.92 KLKB1 (0.54) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218646 0.92 ITGB3 (0.58) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218668 0.90 KLKB1 (0.53) KLKB1CD274PDCD1ITGB3ITGB1
SCHEMBL24218677 0.88 ITGB3 (0.56) KLKB1CD274PDCD1ITGB3ITGB1

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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