SCHEMBL4117791

SCHEMBL4117791

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1C(C)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 5/20 0.61
CYSLTR2 Q9NS75 4/20 0.61
CYSLTR1 Q9Y271 4/20 0.61
MEN1 O00255 1/20 0.61
PTGES O14684 1/20 0.61
XPO1 O14980 1/20 0.61
SLC22A2 O15244 1/20 0.61
ABCC4 O15439 1/20 0.61
NR1I2 O75469 1/20 0.61
ABCB11 O95342 1/20 0.61
EGFR P00533 1/20 0.61
NR3C1 P04150 1/20 0.61
PGR P06401 1/20 0.61
POLB P06746 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAPT P10636 1/20 0.61
RARB P10826 1/20 0.61
CYP2C9 P11712 1/20 0.61
CNR1 P21554 1/20 0.61

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
SCHEMBL8951207 0.99 PLA2G4A (0.61) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL9586166 0.93 CYSLTR2 (0.60) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL8423166 0.91 PLA2G4A (0.59) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL8153771 0.91 PLA2G4A (0.59) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL8166125 0.91 PLA2G4A (0.59) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL8161239 0.91 PLA2G4A (0.59) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL6357802 0.91 CYSLTR1 (0.73) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL9120313 0.90 CYSLTR2 (0.58) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL9499619 0.90 CYSLTR2 (0.58) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL4466433 0.90 CYSLTR1 (0.60) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007112747-A1 IMMUNOGEN COMBINATIONS CURALOGIC A/S (DK) 2007-10-11 WO claimed
US-6333361-B1 HYDROXYPROPYL CELLULOSE WITH ZAFIRLUKAS ZENECA LIMITED (GB) 2001-12-25 US claimed
US-6143775-A PHYSICAL FORM OF ZAFIRLUKAST; ASTHMA ZENECA LIMITED (GB) 2000-11-07 US claimed
EP-1030664-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING ZAFIRLUKAST AstraZeneca UK Limited (GB) 2000-08-30 EP claimed
US-5993859-A N-(4-(5-(CYCLOPENTYLOXYCARBONYL)AMINO-1-METHYLINDOL-3-YL-METHY L)-3-METHOXY BENZOYL)-2-METHYL-BENZENESULPHONAMIDE AND POLYVINYLPYRROLIDONE. ZENECA LIMITED (GB) 1999-11-30 US claimed
WO-1999025338-A1 PHARMACEUTICAL COMPOSITION CONTAINING ZAFIRLUKAST ASTRAZENECA UK LIMITED (GB) 1999-05-27 WO claimed
US-5612367-A Orally administering an amorphous physical form of zafirlukast in combination with polyvinylpyrrolidone ZENECA LIMITED (GB) 1997-03-18 US claimed
US-5583152-A Use of N-(4-(5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-ylmethyl)-3 -methoxybenzoyl)-2-methyl-benzenesulphonamide, zafirlukast; allergic asthma, inflammatory diseases, endotoxic conditions or traumatic shock ZENECA INC. (US) 1996-12-10 US claimed
EP-0490649-B1 A physical form of N-[4-[5-(cyclopentyloxycarbonylamino)-1-methyl-indol-3-ylmethyl]-3-methoxybenzoyl]-2-methylbenzenesulfonamide, a process for its preparation and pharmaceutical compositions containing it ZENECA LTD (GB) 1996-11-13 EP claimed
US-5482963-A Physical form of N-(4-(5(cyclopentyloxycarbonyl)amino-1-methylindol-3-yl -methyl)3methoxybenzoyl)-2-methylbenzenesulphonamide, zafirlukast; tablet; asthma ZENECA LIMITED (GB) 1996-01-09 US claimed
EP-0490648-B1 Pharmaceutical agents ZENECA LTD (GB) 1995-12-06 EP claimed
US-5319097-A Physical form of leukotriene antagonist such as zafirlukast, N-(4-(5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-yl-methyl)-3-methoxybenzoyl)-2methylbenzenesulfonamide; spray drying in acetone IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-07 US claimed
US-5294636-A Such as zafirlukast; leukotriene antagonist; metered dose inhalers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US claimed
EP-0490649-A1 A physical form of N-[4-[5-(cyclopentyloxycarbonylamino)-1-methyl-indol-3-ylmethyl]-3-methoxybenzoyl]-2-methylbenzenesulfonamide, a process for its preparation and pharmaceutical compositions containing it ZENECA LIMITED (GB) 1992-06-17 EP claimed
EP-0490648-A1 Pharmaceutical agents ZENECA LIMITED (GB) 1992-06-17 EP claimed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP claimed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US claimed
JP-4266824-A None JP disclosed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US disclosed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 EP disclosed