SCHEMBL3683219

SCHEMBL3683219

COC(=O)c1ccc(C(C)c2c[nH]c3ccc(NC(=O)OC4CCCC4)cc23)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.51
CYSLTR2 Q9NS75 8/20 0.51
PLA2G4A P47712 2/20 0.44
EPHX2 P34913 3/20 0.40
PPARG P37231 3/20 0.40
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
XPO1 O14980 1/20 0.39
SLC22A2 O15244 1/20 0.39
ABCC4 O15439 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
RARB P10826 1/20 0.39

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
SCHEMBL4294287 0.93 CYSLTR2 (0.53) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951187 0.91 CYSLTR1 (0.50) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL6716972 0.91 CYSLTR1 (0.50) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL9221477 0.90 CYSLTR1 (0.46) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951325 0.88 CYSLTR2 (0.51) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951557 0.88 EPHX2 (0.52) EPHX2MEN1CYP2C9KMT2A
SCHEMBL8951482 0.88 CYSLTR2 (0.49) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951115 0.88 CYSLTR2 (0.52) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951235 0.88 CYSLTR2 (0.52) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951265 0.87 CYSLTR2 (0.53) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170825-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
US-20090191183-A1 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-30 US disclosed
WO-2009018280-A2 SUBSTITUTED INDOLES AUSPEX PHARAMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
US-20090012146-A1 SOLUBILITY-ENHANCED PHARMACEUTICAL COMPOSITIONS COMPRISING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
US-20040186300-A1 Process for the preparation of zafirlukast FINETECH LABORATORIES LTD. (IL) 2004-09-23 US disclosed
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO disclosed
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 disclosed
EP-0227241-B1 Medicinal indole and indazole keto sulphone derivatives ZENECA INC (US) 1996-09-11 EP disclosed
US-5440035-A Leukotriene antagonists; antiallergens, antiinflammatory agents ZENECA INC. (GB) 1995-08-08 US disclosed
US-5391758-A Leukotriene antagonists ZENECA, INC. (US) 1995-02-21 US disclosed
US-5338734-A Leukotriene antagonist properties; antiinflammatory agents ZENECA INC. (US) 1994-08-16 US disclosed
US-5179112-A Leukotriene antagonist as antiallergens and antiinflammatory agents ICI AMERICAS INC. (US) 1993-01-12 US disclosed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP disclosed
US-5030643-A Antiallergens, antiinflammatory agents ICI AMERICAS INC. (US) 1991-07-09 US disclosed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US disclosed
US-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP disclosed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 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 (3 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-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 CYSLTR1 1/4885CYSLTR2 4/4885PLA2G4A 144/4885
US-20090012146-A1 SOLUBILITY-ENHANCED PHARMACEUTICAL COMPOSITIONS COMPRISING ZAFIRLUKAST PRSS3, PRSS1, PRSS2 CYSLTR1 1940/4885CYSLTR2 1815/4885PLA2G4A 3283/4885
US-20040186300-A1 Process for the preparation of zafirlukast LTC4S, LTB4R, CMA1 CYSLTR1 15/4885CYSLTR2 32/4885PLA2G4A 466/4885

“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.