SCHEMBL24218681

SCHEMBL24218681

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.52
▸ KLKB1 P03952 4/20 0.51
▸ CD274 Q9NZQ7 2/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGAV P06756 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ ITGB5 P18084 1/20 0.50
▸ EPS15 P42566 1/20 0.49
▸ PDCD1 Q15116 1/20 0.48
▸ PIN1 Q13526 4/20 0.48
▸ NNMT P40261 4/20 0.47
▸ ALB P02768 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ EPHA2 P29317 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
SCHEMBL24218684 1.00 PLAU (0.52) PLAUKLKB1CD274ITGB3ITGB1
SCHEMBL23743621 0.94 PLAU (0.50) PLAUKLKB1CD274ITGB3ITGB1
SCHEMBL24218672 0.93 CD274 (0.55) PLAUKLKB1CD274ITGB3ITGB1
SCHEMBL24218677 0.93 ITGB3 (0.56) PLAUKLKB1CD274ITGB3ITGB1
SCHEMBL23743622 0.92 KLKB1 (0.50) PLAUKLKB1CD274ITGB3ITGB1
SCHEMBL24218656 0.92 KLKB1 (0.56) PLAUKLKB1CD274PDCD1ALB
SCHEMBL24218670 0.91 CD274 (0.48) PLAUKLKB1CD274ITGB3ITGB1
SCHEMBL24218680 0.90 KLKB1 (0.51) PLAUKLKB1CD274PDCD1ALB
SCHEMBL24218602 0.89 CD274 (0.53) PLAUKLKB1CD274ITGB3ITGB1
SCHEMBL24218597 0.89 CD274 (0.53) PLAUKLKB1CD274ITGB3ITGB1

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 PLAU 148/4885KLKB1 67/4885CD274 3229/4885

“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.

Send feedback