SCHEMBL4575208

SCHEMBL4575208

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
EPHX1 P07099 1/20 0.41
CTRB1 P17538 4/20 0.39
SLC15A1 P46059 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SRR Q9GZT4 2/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28201841 0.76 EPHX1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6450535 0.75 ALPI (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL553869 0.74 KDM4E (0.30)
SCHEMBL2328806 0.73 CYP1A2 (0.42) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Amide SCHEMBL15467300 0.69 SLC7A5 (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL30116898 0.69 PRSS1 (0.45) KMT2ASLC1A3SLC1A2SLC1A1ALDH1A1
Dl-Phenylalanine SCHEMBL8610372 0.68 SLC7A5 (0.79) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL8610376 0.68 SLC7A5 (0.79) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5609832 0.68 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4576184 0.68 EPHX1 (0.44) ALPIPKMPTGS1XIAPSLC7A5

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