SCHEMBL422998

CN[C@H](CSCC1O[C@H]2O[C@@H]3C(CO)O[C@H](OC4C(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)[C@H](CCC(=O)O)NC(=O)c7ccc(CCc8c[nH]c9nc(N)[nH]c(=O)c89)cc7)O[C@H](O[C@H]7CC(O)[C@@H](OC7CO)O[C@@H]7C(CO)O[C@@H](O[C@H]1[C@H](O)C2O)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 0.42

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TYMS	P04818	6/20	0.42

▸	DHFR	P00374	5/20	0.42

▸	FOLR1	P15328	5/20	0.42

▸	SLC19A1	P41440	5/20	0.42

▸	SLC46A1	Q96NT5	5/20	0.42

▸	ATIC	P31939	5/20	0.42

▸	GART	P22102	4/20	0.42

▸	SHMT1	P34896	4/20	0.42

▸	FOLR2	P14207	1/20	0.42

▸	FRK	P42685	1/20	0.42

▸	SHMT2	P34897	3/20	0.30

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
SCHEMBL423888	0.96	TYMS (0.46)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL11990700	0.96	TYMS (0.46)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL420693	0.95	TYMS (0.42)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL420681	0.93	TYMS (0.40)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL11990575	0.93	TYMS (0.47)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL423001	0.90	TYMS (0.45)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL422788	0.90	TYMS (0.45)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL11990704	0.90	TYMS (0.45)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL20365794	0.83	TYMS (0.47)	TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL15145426	0.80	GART (0.45)	TYMSDHFRFOLR1SLC19A1SLC46A1

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-20120064107-A1	COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE	CERULEAN PHARMA INC. (US)	2012-03-15	—	—	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-20120064107-A1	COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE	PHOSPHO1, SGMS1, SGMS2	TYMS 545/4885DHFR 494/4885FOLR1 347/4885

“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.