SCHEMBL13246846

CB(O)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC(=O)[C@H]([C@H](C)CC(=O)O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.77

▸	DRD1	P21728	1/20	0.77

▸	PTGS1	P23219	1/20	0.77

▸	PDE4A	P27815	1/20	0.77

▸	EPHA2	P29317	3/20	0.39

▸	KDM4A	O75164	1/20	0.36

▸	PRLHR	P49683	2/20	0.36

▸	F11	P03951	1/20	0.36

▸	ESR1	P03372	1/20	0.36

▸	ESR2	Q92731	1/20	0.36

▸	NPR1	P16066	1/20	0.36

▸	NPR3	P17342	1/20	0.36

▸	KEAP1	Q14145	1/20	0.35

▸	ITGB3	P05106	2/20	0.35

▸	ITGB1	P05556	2/20	0.35

▸	ITGAV	P06756	2/20	0.35

▸	ITGA5	P08648	2/20	0.35

▸	ITGB6	P18564	2/20	0.35

▸	ITGB8	P26012	2/20	0.35

▸	KRAS	P01116	1/20	0.35

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
SCHEMBL8230275	0.94	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230288	0.94	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226898	0.94	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8354268	0.94	CTSL (0.86)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226972	0.94	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL15177399	0.92	CTSL (0.74)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227168	0.91	CTSL (0.74)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227051	0.91	CTSL (0.79)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230347	0.91	CTSL (0.79)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8242501	0.91	CTSL (0.80)	CTSLDRD1PTGS1PDE4AEPHA2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8507647-B2	Antibacterial agents for the treatment of gram positive infections	CUBIST PHARMACEUTICALS, INC. (US)	2013-08-13	—	—	US	disclosed
US-20100184649-A1	NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS	CUBIST PHARMACEUTICALS, INC.	2010-07-22	—	—	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-20100184649-A1	NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS	CLPP, CLPTM1, RPN1	CTSL 56/4885DRD1 2791/4885PTGS1 1386/4885

“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.