SCHEMBL6716972

SCHEMBL6716972

COc1cc(C(=O)[O-])ccc1C(C)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12.[Na+]

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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 9/20 0.50
PPARG known ✓ P37231 3/20 0.40
NR3C1 known ✓ P04150 1/20 0.38
ADORA3 known ✓ P0DMS8 1/20 0.38
PDE4D known ✓ Q08499 1/20 0.38
PDE3A known ✓ Q14432 1/20 0.38
CYSLTR2 Q9NS75 8/20 0.50
PLA2G4A P47712 2/20 0.43
EPHX2 P34913 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGES O14684 1/20 0.38
XPO1 O14980 1/20 0.38
SLC22A2 O15244 1/20 0.38
ABCC4 O15439 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38

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 0.91 CYSLTR2 (0.53) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL3683219 0.91 CYSLTR1 (0.51) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL9221477 0.85 CYSLTR1 (0.46) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL6357802 0.84 CYSLTR1 (0.73) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951514 0.83 CYSLTR1 (0.72) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951482 0.83 CYSLTR2 (0.49) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8951187 0.83 CYSLTR1 (0.50) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL9586166 0.82 CYSLTR2 (0.60) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
SCHEMBL8998136 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2PLA2G4AEPHX2PPARG
Toluene SCHEMBL9010944 0.82 CYSLTR2 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040186300-A1 Process for the preparation of zafirlukast LTC4S, LTB4R, CMA1 CYSLTR1 15/4885PPARG 2112/4885NR3C1 642/4885

“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.