SCHEMBL4540957

SCHEMBL4540957

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1c(C)[nH]c2ccc(NC(=O)OC3CCCC3)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 5/20 0.73
CYSLTR2 Q9NS75 4/20 0.73
CYSLTR1 Q9Y271 4/20 0.73
MEN1 O00255 1/20 0.73
PTGES O14684 1/20 0.73
XPO1 O14980 1/20 0.73
SLC22A2 O15244 1/20 0.73
ABCC4 O15439 1/20 0.73
NR1I2 O75469 1/20 0.73
ABCB11 O95342 1/20 0.73
EGFR P00533 1/20 0.73
NR3C1 P04150 1/20 0.73
PGR P06401 1/20 0.73
POLB P06746 1/20 0.73
ADRA2A P08913 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
MAPT P10636 1/20 0.73
RARB P10826 1/20 0.73
CYP2C9 P11712 1/20 0.73
CNR1 P21554 1/20 0.73

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
N-Dealkylated Derivative SCHEMBL14862820 0.88 CYSLTR2 (0.83) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
SCHEMBL4150784 0.86 PLA2G4A (0.80) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL30885065 0.84 PLA2G4A (1.00) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL29861631 0.84 PLA2G4A (1.00) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL4175 0.84 PLA2G4A (1.00) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL6600322 0.84 PLA2G4A (1.00) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL29372773 0.84 PLA2G4A (1.00) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL6381072 0.84 PLA2G4A (0.99) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL6378803 0.84 PLA2G4A (0.99) PLA2G4ACYSLTR2CYSLTR1MEN1PTGES
Zafirlukast SCHEMBL4586973 0.84 PLA2G4A (0.99) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 PLA2G4A 315/4885CYSLTR2 14/4885CYSLTR1 23/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 PLA2G4A 315/4885CYSLTR2 14/4885CYSLTR1 23/4885

“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.