SCHEMBL2485960

SCHEMBL2485960

N[C@@H](CS)C(=O)OC(=O)C(O)C(O)C(=O)OC(=O)[C@@H](N)CS

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
ENPEP Q07075 4/20 0.32
HTT P42858 1/20 0.32
ANPEP P15144 2/20 0.31

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
SCHEMBL1964879 0.91 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEP
SCHEMBL20657045 0.91 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEP
Hydrochloric Acid SCHEMBL11053790 0.88 PTGS1 (0.52) PTGS1SLC7A11ENPEPANPEP
Hydrochloric Acid SCHEMBL11053789 0.88 PTGS1 (0.52) PTGS1SLC7A11ENPEPANPEP
SCHEMBL1373431 0.82 PTGS1 (0.46) PTGS1SLC7A11ENPEPANPEP
SCHEMBL638357 0.82 PDE4A (0.44) PTGS1SLC7A11
SCHEMBL11125227 0.81 PTGS1 (0.50) PTGS1SLC7A11ENPEPANPEP
SCHEMBL3013796 0.81 PTGS1 (0.41) PTGS1SLC7A11
SCHEMBL10612022 0.81 PTGS1 (0.41) PTGS1SLC7A11ENPEPANPEP
SCHEMBL1675943 0.80 PTGS1 (0.44) PTGS1SLC7A11ENPEPANPEP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523293-A FROM CLEAVAGE OF DISULFIDE BONDS IN SOY PROTEIN; CONSUMABLE PRODUCTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-06-04 US claimed
EP-0412639-B1 REDUCED CALORIE, HIGH FIBER PASTA Borden, Inc. (US) 1993-08-04 EP claimed
EP-0412639-A2 Reduced calorie, high fiber pasta Borden, Inc. (US) 1991-02-13 EP claimed
US-4976982-A REDUCING AGENTS TO COUNTERACT OXIDIZERS WITHIN THE FIBER PRODUCT BORDEN, INC. (US) 1990-12-11 US claimed
US-8299172-B2 treating the polysaccharide with basic aqueous solutions, then acylation, carboxymethylation and oxidation to form polysaccharide carboxylates, and reacting with proteins to produce a complex of a polysaccharide carboxylate electrostatically bonded to the proteins SAGINAW VALLEY STATE UNIVERSITY (US) 2012-10-30 US disclosed
EP-2375911-A1 CHOCOLATE EXTRACT, PROCESS OF MAKING, AND USES THEREOF Theo Chocolates Inc. (US) 2011-10-19 EP disclosed
US-20100173042-A1 Chocolate extract, process of making, and uses thereof McShea, Andrew 2010-07-08 US disclosed
WO-2010068301-A1 CHOCOLATE EXTRACT, PROCESS OF MAKING, AND USES THEREOF THEO CHOCOLATES INC. (US) 2010-06-17 WO disclosed
US-20080167436-A1 treating the polysaccharide with basic aqueous solutions, then acylation, carboxymethylation and oxidation to form polysaccharide carboxylates, and reacting with proteins to produce a complex of a polysaccharide carboxylate electrostatically bonded to the proteins SAGINAW VALLEY STATE UNIVERSITY 2008-07-10 US disclosed
US-5523293-A FROM CLEAVAGE OF DISULFIDE BONDS IN SOY PROTEIN; CONSUMABLE PRODUCTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-06-04 US disclosed