SCHEMBL23104948

SCHEMBL23104948

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)NC1O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(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(C)=O)CSC3

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.62
ITGB3 P05106 1/20 0.57
ITGB1 P05556 1/20 0.57
ITGAV P06756 1/20 0.57
ITGA5 P08648 1/20 0.57
ITGB5 P18084 1/20 0.57
KLKB1 P03952 15/20 0.57
KLK2 P20151 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
F10 P00742 1/20 0.51
F11 P03951 1/20 0.51
KLK1 P06870 1/20 0.51
KLK14 Q9P0G3 1/20 0.51
KLK13 Q9UKR3 1/20 0.51
KLK5 Q9Y337 1/20 0.51
CTSG P08311 1/20 0.51

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 0.92 PLAU (0.68) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL22256705 0.89 PLAU (0.68) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL23104952 0.84 KLKB1 (0.59) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL22341394 0.71 ITGB3 (0.70) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL14082355 0.70 MC4R (0.58) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL30883996 0.70 ITGAV (0.74) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL29540118 0.70 ITGAV (0.74) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL9908255 0.69 MC4R (0.57) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL29540413 0.69 ITGAV (0.67) PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL29540230 0.69 ITGAV (0.69) PLAUITGB3ITGB1ITGAVITGA5

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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF Bicyclerd Limited (GB) 2021-03-18 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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR PLAU 719/4885ITGB3 2734/4885ITGB1 4079/4885
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF VIP, NGLY1, GRPR PLAU 719/4885ITGB3 2734/4885ITGB1 4079/4885

“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.