Sugi Predict

Sugi Predict / Compounds / SCHEMBL24218678

SCHEMBL24218678

SCHEMBL24218678

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](CCCCN)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.54
▸ ITGB1 P05556 1/20 0.54
▸ ITGAV P06756 1/20 0.54
▸ ITGA5 P08648 1/20 0.54
▸ ITGB5 P18084 1/20 0.54
▸ PLAU P00749 1/20 0.53
▸ KLKB1 P03952 8/20 0.52
▸ ST14 Q9Y5Y6 1/20 0.50
▸ CD274 Q9NZQ7 2/20 0.49
▸ PDCD1 Q15116 1/20 0.49
▸ NNMT P40261 4/20 0.47
▸ EPHA2 P29317 1/20 0.47
▸ TEAD4 Q15561 1/20 0.46
▸ TEAD3 Q99594 1/20 0.46
▸ CTSG P08311 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
SCHEMBL24218677 0.97 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218668 0.92 KLKB1 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218599 0.92 KLKB1 (0.52) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218590 0.92 KLKB1 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218603 0.92 KLKB1 (0.53) PLAUKLKB1CD274PDCD1CTSG
SCHEMBL24218685 0.90 KLKB1 (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218690 0.90 KLKB1 (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218681 0.90 PLAU (0.52) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218573 0.90 CD274 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24218684 0.90 PLAU (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 — — US disclosed
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 (2 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
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION M6PR, ASGR1, IGF2R ITGB3 2014/4885ITGB1 1194/4885ITGAV 519/4885

“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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