Ethoxysulfuron

Ethoxysulfuron

SCHEMBL914537

CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1.[Na+]

nearest known ligand 0.58

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 Ethoxysulfuron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK1 P06493 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL924543 0.82 CDK1 (0.39) GAACDK1
SCHEMBL7643173 0.82 CDK1 (0.37) MAPTGAAKDM4ENPC1ALDH1A1
SCHEMBL116869 0.81 NPC1 (0.31) NPC1
SCHEMBL915255 0.80 CDK1 (0.38) GAACDK1
Ethoxysulfuron SCHEMBL29386240 0.76 GAA (0.53) TP53RXFP1MAPTGAAHSD17B10
Ethoxysulfuron SCHEMBL65311 0.76 GAA (0.53) TP53RXFP1MAPTGAAHSD17B10
Ethoxysulfuron SCHEMBL8365899 0.76 ALDH1A1 (0.43) TP53RXFP1MAPTGAAKDM4E
Foramsulfuron SCHEMBL914629 0.76 CDK1 (0.64) GAACDK1
Ethoxysulfuron SCHEMBL2323273 0.76 GAA (0.52) TP53RXFP1MAPTGAAHSD17B10
Ethoxysulfuron SCHEMBL28150239 0.76 GAA (0.52) TP53RXFP1MAPTGAAHSD17B10

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
US-7867946-B2 Liquid formulation BAYER CROPSCIENCE AG (DE) 2011-01-11 US disclosed
US-20060205596-A1 Liquid formulation BAYER CROPSCIENCE GMBH (DE) 2006-09-14 US disclosed
US-20050026786-A1 Oil suspension concentrate BAYER CROPSCIENCE GMBH (DE) 2005-02-03 US disclosed
US-20050026787-A1 Liquid formulation BAYER CROPSCIENCE GMBH (DE) 2005-02-03 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 (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-20050026786-A1 Oil suspension concentrate LIPA, BLVRB, DDT TP53 3595/4885RXFP1 3638/4885MAPT 2040/4885
US-20050026787-A1 Liquid formulation SOD1, GLO1, MDM2 TP53 151/4885RXFP1 3528/4885MAPT 16/4885
US-20060205596-A1 Liquid formulation SOD1, GLO1, MDM2 TP53 151/4885RXFP1 3528/4885MAPT 16/4885

“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.