SCHEMBL22404085

C=C[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)CCSCc2cc3cc(c2)CSC[C@@H](NC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)(C)C)C(=O)NCCSC3

nearest known ligand 0.44

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CTSG	P08311	2/20	0.44

▸	PCSK9	Q8NBP7	12/20	0.44

▸	LDLR	P01130	11/20	0.44

▸	EPHA2	P29317	2/20	0.43

▸	GRB7	Q14451	1/20	0.42

▸	EHD1	Q9H4M9	2/20	0.42

▸	PLAU	P00749	1/20	0.42

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.

Compound	similarity	top predicted	shared targets
SCHEMBL22404452	0.95	PCSK9 (0.47)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL22404465	0.89	GRB7 (0.50)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL22404440	0.89	GRB7 (0.50)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL20756627	0.87	GRB7 (0.56)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL20756439	0.85	CTSG (0.44)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL20756440	0.85	GRB7 (0.48)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL23104927	0.81	CTSG (0.50)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL20385944	0.80	GRB7 (0.49)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL20385895	0.80	GRB7 (0.49)	CTSGPCSK9LDLREPHA2GRB7
SCHEMBL20382865	0.80	CTSG (0.51)	CTSGPCSK9LDLREPHA2GRB7

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20200283482-A1	BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF	Bicyclerd Limited (GB)	2020-09-10	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20200283482-A1	BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF	PRRC2A, GRPR, QRFPR	CTSG 1398/4885PCSK9 315/4885LDLR 224/4885

“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.