SCHEMBL4690192

SCHEMBL4690192

NC(Cc1ccccc1)C(=O)NCCS(=O)(=O)O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CTSC P53634 1/20 0.49
MMP2 P08253 1/20 0.49
SLC15A1 P46059 1/20 0.49

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
SCHEMBL4690197 1.00 CA2 (0.53) CA2ALPIPKMPTGS1XIAP
SCHEMBL12226789 0.93 CA2 (0.52) CA2ALPIPKMPTGS1XIAP
SCHEMBL12226603 0.93 CA2 (0.52) CA2ALPIPKMPTGS1XIAP
SCHEMBL10231128 0.90 CTSC (0.49) CTSC
SCHEMBL11254327 0.86 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18375234 0.86 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21010316 0.86 SLC15A1 (0.64) CA2ALPIPKMPTGS1XIAP
SCHEMBL16559587 0.84 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2927527 0.84 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28563957 0.83 ALPI (0.46) CA2ALPIPKMPTGS1XIAP

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467856-B1 Aminoalkanesulfonic acid derivatives and pharmaceutical compositions for use in preventing or treating heart diseases NIPPON ZOKI PHARMACEUTICAL CO (JP) 1997-03-19 EP claimed
EP-0467856-A2 Aminoalkanesulfonic acid derivatives and pharmaceutical compositions for use in preventing or treating heart diseases NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-01-22 EP claimed
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20080249184-A1 Methods for modulating neuronal cell death BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2008-10-09 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions KIACTA SARL (CH) 2006-06-01 US disclosed
EP-1614432-A2 Method for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-11 EP disclosed
EP-1609467-A1 Compositions for treating diseases associated with glycosaminoglycan-associated molecular interactions Neurochem (International) Limited (CH) 2005-12-28 EP disclosed
US-20040220138-A1 Methods for modulating neuronal cell death NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-11-04 US disclosed
EP-1054664-A1 METHOD FOR MODULATING MACROPHAGE ACTIVATION Neurochem, Inc. (CA) 2000-11-29 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO disclosed
WO-1999059571-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH NEUROCHEM, INC. (US) 1999-11-25 WO disclosed
WO-1999040909-A1 METHOD FOR MODULATING MACROPHAGE ACTIVATION NEUROCHEM, INC. (CA) 1999-08-19 WO disclosed
US-5840294-A INHIBITING AMYLOID DEPOSITION BY ADMINISTERING A THERAPEUTIC COMPOUND COMPRISING AN ANIONIC GROUP AND A CARRIER MOLECULE QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-11-24 US disclosed
EP-0814842-A1 METHOD FOR TREATING AMYLOIDOSIS Queen's University at Kingston (CA) 1998-01-07 EP disclosed
EP-0467856-B1 Aminoalkanesulfonic acid derivatives and pharmaceutical compositions for use in preventing or treating heart diseases NIPPON ZOKI PHARMACEUTICAL CO (JP) 1997-03-19 EP disclosed
WO-1996028187-A1 METHOD FOR TREATING AMYLOIDOSIS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1996-09-19 WO disclosed
EP-0467856-A2 Aminoalkanesulfonic acid derivatives and pharmaceutical compositions for use in preventing or treating heart diseases NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-01-22 EP 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 (5 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT CA2 153/4885ALPI 4332/4885PKM 3011/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 CA2 929/4885ALPI 962/4885PKM 4593/4885
US-20080249184-A1 Methods for modulating neuronal cell death GAP43, BAD, NLN CA2 1896/4885ALPI 4862/4885PKM 4192/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 CA2 1005/4885ALPI 801/4885PKM 4581/4885
US-20040220138-A1 Methods for modulating neuronal cell death NLN, GAP43, BAD CA2 1768/4885ALPI 4843/4885PKM 4211/4885

“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.