Zafirlukast

Zafirlukast

SCHEMBL6600322

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12.COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYSLTR1

The experimentally established mechanism targets of Zafirlukast. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 known ✓ Q9Y271 5/20 1.00
PLA2G4A P47712 5/20 1.00
EPHX2 P34913 4/20 1.00
PPARG P37231 4/20 1.00
CYSLTR2 Q9NS75 3/20 1.00
MEN1 O00255 1/20 1.00
PTGES O14684 1/20 1.00
XPO1 O14980 1/20 1.00
SLC22A2 O15244 1/20 1.00
ABCC4 O15439 1/20 1.00
NR1I2 O75469 1/20 1.00
ABCB11 O95342 1/20 1.00
EGFR P00533 1/20 1.00
NR3C1 P04150 1/20 1.00
PGR P06401 1/20 1.00
POLB P06746 1/20 1.00
ADRA2A P08913 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
MAPT P10636 1/20 1.00
RARB P10826 1/20 1.00

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
Zafirlukast SCHEMBL4175 1.00 PLA2G4A (1.00) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL29861631 1.00 PLA2G4A (1.00) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL29372773 1.00 PLA2G4A (1.00) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL30885065 1.00 PLA2G4A (1.00) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL6765680 0.99 PLA2G4A (0.99) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL4586973 0.99 PLA2G4A (0.99) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL8951202 0.99 PLA2G4A (0.99) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL6381072 0.99 PLA2G4A (0.99) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL6378803 0.99 PLA2G4A (0.99) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2
Zafirlukast SCHEMBL6715413 0.99 PLA2G4A (0.97) PLA2G4ACYSLTR1EPHX2PPARGCYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585109-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION The General Hospital Corporation (US) 2013-05-01 EP claimed
WO-2011163308-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION THE GENERAL HOSPITAL CORPORATION (US) 2011-12-29 WO claimed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
US-20170128475-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION THE GENERAL HOSPITAL CORPORATION (US) 2017-05-11 US disclosed
EP-2585109-B1 COMPOSITIONS FOR USE IN TREATING DRUG-INDUCED LIVER TOXICITY OR LIVER FAILURE MASSACHUSETTS GEN HOSPITAL (US) 2016-12-21 EP disclosed
US-20140148413-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-29 US disclosed
EP-2585109-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION The General Hospital Corporation (US) 2013-05-01 EP disclosed
WO-2011163308-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION THE GENERAL HOSPITAL CORPORATION (US) 2011-12-29 WO disclosed
EP-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
EP-1355907-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
EP-1252157-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
WO-2001057025-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO disclosed