SCHEMBL24218648

SCHEMBL24218648

CCNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)NC(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)NCC(=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 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CIB1 Q99828 2/20 0.44
▸ CD274 Q9NZQ7 2/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ PIN1 Q13526 5/20 0.43
▸ PDCD1 Q15116 1/20 0.42
▸ EPS15 P42566 1/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ KLKB1 P03952 2/20 0.41
▸ PLAU P00749 1/20 0.41
▸ EPHA2 P29317 3/20 0.40
▸ KEAP1 Q14145 1/20 0.40

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
SCHEMBL24218645 0.96 CIB1 (0.47) CIB1CD274SLC6A3PIN1PDCD1
SCHEMBL24218647 0.91 KLK5 (0.48) CIB1CD274SLC6A3PDCD1EPS15
SCHEMBL24218662 0.91 KLK5 (0.48) CIB1CD274SLC6A3PDCD1EPS15
SCHEMBL24218664 0.91 KLK5 (0.48) CIB1CD274SLC6A3PDCD1EPS15
SCHEMBL24218649 0.91 KLK5 (0.48) CIB1CD274SLC6A3PDCD1EPS15
SCHEMBL24218684 0.85 PLAU (0.52) CD274PIN1PDCD1EPS15ITGB3
SCHEMBL24218681 0.85 PLAU (0.52) CD274PIN1PDCD1EPS15ITGB3
SCHEMBL24218680 0.85 KLKB1 (0.51) CIB1CD274SLC6A3PDCD1KLKB1
SCHEMBL24218656 0.83 KLKB1 (0.56) CIB1CD274SLC6A3PDCD1KLKB1
SCHEMBL24218691 0.83 CIB1 (0.52) CIB1EPS15

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 3229/4885SLC6A3 3527/4885

“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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