Bispyribac

Bispyribac

SCHEMBL2114790

COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1.[Na+].[NaH]

nearest known ligand 0.70

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 Bispyribac. 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
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.48

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
Bispyribac SCHEMBL116404 0.99 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
Bispyribac SCHEMBL28123615 0.97 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
Bispyribac SCHEMBL9195412 0.96 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
Bispyribac SCHEMBL8157108 0.91 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL9622844 0.89 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL9622225 0.87 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
Bispyribac SCHEMBL28852093 0.86 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
Bispyribac SCHEMBL238471 0.85 CA12 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
Bispyribac SCHEMBL2114791 0.85 CA12 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL9598994 0.84 NPSR1 (0.53) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158559-B2 Herbicidal combination comprising dimethoxytriazinyl-substituted difluoromethanesulfonylanilides BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-20110177946-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-07-21 US disclosed
US-20110172100-A1 HERBICIDAL COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-07-14 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-20110172100-A1 HERBICIDAL COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DPYD, ATL3, DDT CYP1A2 376/4885CYP2C9 802/4885CYP2C19 742/4885
US-20110177946-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DPYD, ATL3, IDH1 CYP1A2 354/4885CYP2C9 822/4885CYP2C19 781/4885

“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.