Gemilukast

Gemilukast

SCHEMBL597425

Cc1c(F)cccc1CCCCOc1ccc(C#Cc2ccc(F)c3c(CCCC(=O)[O-])c(C)n(CCCC(=O)[O-])c23)cc1.[Na+].[Na+]

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Gemilukast. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR1 known ✓ Q9Y271 20/20 0.86
CYSLTR2 Q9NS75 20/20 0.86

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
Gemilukast SCHEMBL598116 0.99 CYSLTR2 (0.84) CYSLTR2CYSLTR1
Gemilukast SCHEMBL597344 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Gemilukast SCHEMBL29438733 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL599253 0.86 CYSLTR2 (0.85) CYSLTR2CYSLTR1
SCHEMBL598642 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Water SCHEMBL597526 0.85 CYSLTR2 (0.84) CYSLTR2CYSLTR1
Gemilukast SCHEMBL597080 0.84 CYSLTR2 (0.83) CYSLTR2CYSLTR1
Gemilukast SCHEMBL597081 0.84 CYSLTR2 (0.83) CYSLTR2CYSLTR1
SCHEMBL598035 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL597067 0.81 CYSLTR2 (0.88) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206698-B1 Ethynylindole compounds ONO PHARMACEUTICAL CO (JP) 2012-07-18 EP disclosed
US-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US disclosed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 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 (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-20100160647-A1 ETHYNYLINDOLE COMPOUNDS CYSLTR2, CYSLTR1, LTB4R2 CYSLTR1 2/4885CYSLTR2 1/4885

“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.