SCHEMBL24218602

SCHEMBL24218602

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](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)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 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.53
▸ PDCD1 Q15116 1/20 0.53
▸ KLKB1 P03952 6/20 0.49
▸ CIB1 Q99828 2/20 0.48
▸ PLAU P00749 3/20 0.46
▸ KLK5 Q9Y337 2/20 0.46
▸ ALB P02768 1/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ ITGB5 P18084 1/20 0.45
▸ KRAS P01116 1/20 0.44
▸ EPS15 P42566 1/20 0.44
▸ PRKACA P17612 1/20 0.43
▸ PRKACG P22612 1/20 0.43
▸ PRKACB P22694 1/20 0.43
▸ FURIN P09958 1/20 0.43

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
SCHEMBL24218597 1.00 CD274 (0.53) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218668 0.97 KLKB1 (0.53) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218596 0.96 KLKB1 (0.55) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218687 0.94 KLKB1 (0.53) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218642 0.94 KLKB1 (0.53) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218688 0.94 KLKB1 (0.53) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218603 0.94 KLKB1 (0.53) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218599 0.93 KLKB1 (0.52) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218573 0.93 CD274 (0.53) CD274PDCD1KLKB1CIB1PLAU
SCHEMBL24218590 0.93 KLKB1 (0.57) CD274PDCD1KLKB1PLAUKLK5

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 CD274 3229/4885PDCD1 1778/4885KLKB1 67/4885

“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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