SCHEMBL4576184

SCHEMBL4576184

C=C(C(N)=O)C(Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CYP1A2 P05177 1/20 0.42
SRR Q9GZT4 2/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MDM2 Q00987 1/20 0.39
SLC15A1 P46059 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38

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
SCHEMBL4816907 0.84 SLC6A4 (0.41) HSD17B10ALDH1A1
SCHEMBL4819684 0.84 ALDH1A1 (0.38) EPHX1CYP1A2ALDH1A1
SCHEMBL4809962 0.82 TP53 (0.42) EPHX1ALDH1A1
SCHEMBL27934974 0.79 CYP1A2 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28201838 0.78 CYP1A2 (0.59) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL28202340 0.73 EPHX1 (0.69) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL5998425 0.73 ALPI (0.53) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7346855 0.71 EPHX1 (0.51) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL6455279 0.71 ALDH1A1 (0.52) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7351481 0.70 ALPI (0.55) EPHX1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763978-B2 Pharmaceutical compositions comprising polymeric binders with non-hydrolysable covalent bonds and their use in treating celiac disease VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2017-09-19 US disclosed
US-20150064131-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYMERIC BINDERS WITH NON-HYDROLYSABLE COVALENT BONDS AND THEIR USE IN TREATING CELIAC DISEASE VALORISATION-RECHERCHE LIMITED PARTNERSHIP (CA) 2015-03-05 US disclosed
US-8883133-B2 Pharmaceutical compositions comprising polymeric binders with non-hydrolysable their use in treating celiac disease VALORISATION-RECHERCHE LIMITED PARTNERSHIP (CA) 2014-11-11 US disclosed
US-8784792-B2 Pharmaceutical compositions comprising polymeric binders with non-hydrolysable covalent bonds and their use in treating celiac disease Valorization-Recherche Limited Partnership (CA) 2014-07-22 US disclosed
US-20120244105-A1 Pharmaceutical Compositions Comprising Polymeric Binders with Non-Hydrolysable Covalent Bonds and Their Use in Treating Celiac Disease VALORISATION-RECHERCHE LIMITED PARTNERSHIP (CA) 2012-09-27 US disclosed
US-20080254099-A1 Such as high molecular weight copolymer of hydroxyethyl methacrylate and 4-styrene sulfonic acid sodium salt; decreasing interaction of gluten or peptide degradation products with intestinal tract; breads VALORISATION-RECHERCHE, LIMITED (CA) 2008-10-16 US disclosed
EP-1948201-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYMERIC BINDERS WITH NON-HYDROLYSABLE COVALENT BONDS AND THEIR USE IN TREATING CELIAC DISEASE UNIVERSITE DE MONTREAL (CA) 2008-07-30 EP disclosed
WO-2007053935-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYMERIC BINDERS WITH NON-HYDROLYSABLE COVALENT BONDS AND THEIR USE IN TREATING CELIAC DISEASE UNIVERSITE DE MONTREAL (CA) 2007-05-18 WO disclosed