SCHEMBL11990575

CN[C@H](CSCC1O[C@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@@H](O[C@@H]6C(CSC[C@@H](CC(=O)CCOCCOCCC(C)=O)C(=O)NCCOCCOC(=O)CC[C@H](NC(=O)c7ccc(CCc8c[nH]c9nc(N)[nH]c(=O)c89)cc7)C(=O)O)O[C@H](O[C@@H]7C(CO)O[C@@H](O[C@@H]8C(CO)O[C@@H](O[C@H]1[C@H](O)C2O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCOCCOC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TYMS	P04818	7/20	0.47

▸	FOLR1	P15328	6/20	0.47

▸	SLC46A1	Q96NT5	6/20	0.47

▸	GART	P22102	6/20	0.47

▸	DHFR	P00374	5/20	0.47

▸	SLC19A1	P41440	5/20	0.47

▸	ATIC	P31939	4/20	0.47

▸	SHMT1	P34896	3/20	0.47

▸	FOLR2	P14207	2/20	0.47

▸	FRK	P42685	1/20	0.47

▸	SHMT2	P34897	2/20	0.33

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
SCHEMBL423001	0.97	TYMS (0.45)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL11990704	0.97	TYMS (0.45)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL422788	0.97	TYMS (0.45)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL11990700	0.97	TYMS (0.46)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL423888	0.97	TYMS (0.46)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL420693	0.93	TYMS (0.42)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL422998	0.93	TYMS (0.42)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL420681	0.86	TYMS (0.40)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL20365794	0.84	TYMS (0.47)	TYMSFOLR1SLC46A1GARTDHFR
SCHEMBL15145426	0.81	GART (0.45)	TYMSFOLR1SLC46A1GARTDHFR

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-20120213854-A1	METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS	CERULEAN PHARMA INC.	2012-08-23	—	—	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-20120213854-A1	METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS	HLA-DRB1, TSG101, IAPP	TYMS 2668/4885FOLR1 1271/4885SLC46A1 1027/4885

“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.