SCHEMBL24218645

SCHEMBL24218645

CCNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CIB1 Q99828 2/20 0.47
▸ CD274 Q9NZQ7 2/20 0.45
▸ PDCD1 Q15116 1/20 0.45
▸ EPS15 P42566 1/20 0.44
▸ KLKB1 P03952 2/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PLAU P00749 2/20 0.43
▸ PIN1 Q13526 4/20 0.42
▸ MC4R P32245 2/20 0.42
▸ MC5R P33032 2/20 0.42
▸ MC3R P41968 2/20 0.42
▸ MC1R Q01726 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.42

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
SCHEMBL24218648 0.96 CIB1 (0.44) CIB1CD274PDCD1EPS15KLKB1
SCHEMBL24218664 0.95 KLK5 (0.48) CIB1CD274PDCD1EPS15KLKB1
SCHEMBL24218662 0.95 KLK5 (0.48) CIB1CD274PDCD1EPS15KLKB1
SCHEMBL24218649 0.95 KLK5 (0.48) CIB1CD274PDCD1EPS15KLKB1
SCHEMBL24218647 0.95 KLK5 (0.48) CIB1CD274PDCD1EPS15KLKB1
SCHEMBL24218684 0.89 PLAU (0.52) CD274PDCD1EPS15KLKB1PLAU
SCHEMBL24218681 0.89 PLAU (0.52) CD274PDCD1EPS15KLKB1PLAU
SCHEMBL24218680 0.88 KLKB1 (0.51) CIB1CD274PDCD1KLKB1SLC6A3
SCHEMBL24218656 0.87 KLKB1 (0.56) CIB1CD274PDCD1KLKB1SLC6A3
SCHEMBL24218691 0.86 CIB1 (0.52) CIB1EPS15MC4RMC5RMC3R

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 CIB1 4643/4885CD274 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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