SCHEMBL24218646

SCHEMBL24218646

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(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(-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 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.58
▸ ITGB1 P05556 1/20 0.58
▸ ITGAV P06756 1/20 0.58
▸ ITGA5 P08648 1/20 0.58
▸ ITGB5 P18084 1/20 0.58
▸ KLKB1 P03952 10/20 0.55
▸ CD274 Q9NZQ7 2/20 0.52
▸ PDCD1 Q15116 1/20 0.52
▸ PCSK9 Q8NBP7 1/20 0.52
▸ KRAS P01116 4/20 0.51
▸ CIB1 Q99828 1/20 0.50
▸ F10 P00742 1/20 0.49
▸ F11 P03951 1/20 0.49
▸ KLK1 P06870 1/20 0.49
▸ KLK2 P20151 1/20 0.49
▸ KLK14 Q9P0G3 1/20 0.49
▸ KLK13 Q9UKR3 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.49
▸ ST14 Q9Y5Y6 1/20 0.49

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) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218598 0.93 KLKB1 (0.59) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218595 0.93 KLKB1 (0.59) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218652 0.92 KLKB1 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218671 0.92 KLKB1 (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218673 0.92 KLKB1 (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218668 0.89 KLKB1 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218677 0.87 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218590 0.86 KLKB1 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218599 0.86 KLKB1 (0.52) ITGB3ITGB1ITGAVITGA5ITGB5

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 ITGB3 4848/4885ITGB1 4867/4885ITGAV 4847/4885

“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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