Sugi Predict

Sugi Predict / Compounds / SCHEMBL22256705

SCHEMBL22256705

SCHEMBL22256705

CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(C)=O)CSCc2cc3cc(c2)CSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)CSC3

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.68
▸ KLKB1 P03952 14/20 0.64
▸ ITGB3 P05106 1/20 0.62
▸ ITGB1 P05556 1/20 0.62
▸ ITGAV P06756 1/20 0.62
▸ ITGA5 P08648 1/20 0.62
▸ ITGB5 P18084 1/20 0.62
▸ KLK2 P20151 1/20 0.57
▸ ST14 Q9Y5Y6 1/20 0.57
▸ NECTIN4 Q96NY8 2/20 0.57

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
SCHEMBL23104993 0.97 PLAU (0.68) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL23104948 0.89 PLAU (0.62) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL23104952 0.88 KLKB1 (0.59) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL22341394 0.75 ITGB3 (0.70) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL18257587 0.74 KLKB1 (0.65) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL21664221 0.74 ELANE (0.55) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL29540230 0.74 ITGAV (0.69) PLAUKLKB1ITGB3ITGB1ITGAV
SCHEMBL29540118 0.73 ITGAV (0.74) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL30883996 0.73 ITGAV (0.74) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL22342253 0.73 ITGB3 (0.65) PLAUKLKB1ITGB3ITGB1ITGAV

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-20220119488-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR INTEGRIN ALPHA-V-BETA-3 Bicyclerd Limited (GB) 2022-04-21 — — US disclosed
WO-2020148528-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR INTEGRIN αVβ3 Bicyclerd Limited (GB) 2020-07-23 — — WO 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-20220119488-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR INTEGRIN ALPHA-V-BETA-3 ITGB3, ITGAV, ITGB2 PLAU 2736/4885KLKB1 1419/4885ITGB3 1/4885

“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.