SCHEMBL4131723

SCHEMBL4131723

COc1cc(C(=O)NS(=O)(=O)c2cccc(C)c2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.87
EPHX2 P34913 7/20 0.87
PPARG P37231 7/20 0.87
CYSLTR2 Q9NS75 5/20 0.87
PLA2G4A P47712 4/20 0.79
MEN1 O00255 1/20 0.79
PTGES O14684 1/20 0.79
XPO1 O14980 1/20 0.79
SLC22A2 O15244 1/20 0.79
ABCC4 O15439 1/20 0.79
NR1I2 O75469 1/20 0.79
ABCB11 O95342 1/20 0.79
EGFR P00533 1/20 0.79
NR3C1 P04150 1/20 0.79
PGR P06401 1/20 0.79
POLB P06746 1/20 0.79
ADRA2A P08913 1/20 0.79
ADORA3 P0DMS8 1/20 0.79
MAPT P10636 1/20 0.79
RARB P10826 1/20 0.79

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
SCHEMBL8951520 0.93 CYSLTR1 (1.00) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
SCHEMBL4456175 0.93 CYSLTR1 (1.00) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
SCHEMBL4164081 0.92 CYSLTR1 (0.88) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
SCHEMBL8951510 0.92 CYSLTR1 (0.99) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
Zafirlukast SCHEMBL4175 0.88 PLA2G4A (1.00) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
Zafirlukast SCHEMBL6600322 0.88 PLA2G4A (1.00) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
Zafirlukast SCHEMBL29861631 0.88 PLA2G4A (1.00) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
Zafirlukast SCHEMBL30885065 0.88 PLA2G4A (1.00) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
Zafirlukast SCHEMBL29372773 0.88 PLA2G4A (1.00) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A
Zafirlukast SCHEMBL4586973 0.88 PLA2G4A (0.99) CYSLTR1EPHX2PPARGCYSLTR2PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149662-A1 PROCESSES FOR PREPARING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-06-11 US disclosed
US-20090149662-A1 PROCESSES FOR PREPARING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-06-11 US disclosed
US-20090149662-A1 PROCESSES FOR PREPARING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-06-11 US disclosed
US-20090012146-A1 SOLUBILITY-ENHANCED PHARMACEUTICAL COMPOSITIONS COMPRISING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
US-20090012146-A1 SOLUBILITY-ENHANCED PHARMACEUTICAL COMPOSITIONS COMPRISING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
US-20090012146-A1 SOLUBILITY-ENHANCED PHARMACEUTICAL COMPOSITIONS COMPRISING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-01-08 US 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 (2 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-20090149662-A1 PROCESSES FOR PREPARING ZAFIRLUKAST SI, FIP1L1, KHK CYSLTR1 881/4885EPHX2 3820/4885PPARG 1579/4885
US-20090012146-A1 SOLUBILITY-ENHANCED PHARMACEUTICAL COMPOSITIONS COMPRISING ZAFIRLUKAST PRSS3, PRSS1, PRSS2 CYSLTR1 1940/4885EPHX2 3791/4885PPARG 416/4885

“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.