SCHEMBL727223

SCHEMBL727223

CCCCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.51

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
PPARG known ✓ P37231 2/20 0.44
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
POLM Q9NP87 2/20 0.50
POLK Q9UBT6 2/20 0.50
POLL Q9UGP5 2/20 0.50
POLH Q9Y253 2/20 0.50
ALOX15 P16050 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL725984 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL10913561 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL29375880 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL29775577 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL725504 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL222194 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL29753940 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL179746 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL8334538 1.00 MEN1 (0.51) MEN1KMT2AKDM4ERECQLPOLM
SCHEMBL8025576 0.99 MEN1 (0.52) MEN1KMT2AKDM4ERECQLPOLM

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524347-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2019-08-14 EP disclosed
EP-2271426-B1 USE OF HYDRAZIDE COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2019-02-20 EP disclosed
EP-3372663-A1 BLEACH CATALYSTS BASF SE (DE) 2018-09-12 EP disclosed
WO-2017186480-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-11-02 WO disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-3176157-A1 BLEACH CATALYSTS BASF SE (DE) 2017-06-07 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
WO-2017076771-A1 BLEACH CATALYSTS BASF SE (DE) 2017-05-11 WO disclosed
US-9533296-B2 Bleach catalysts BASF SE (DE) 2017-01-03 US disclosed
US-20160136627-A1 Bleach Catalysts BASF SE (DE) 2016-05-19 US disclosed
EP-2271426-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2011-01-12 EP disclosed
US-20100267602-A1 OXIDATION CATALYST FOR BLEACHING, AND BLEACHING COMPOSITION USING THE SAME LION CORPORATION (JP) 2010-10-21 US disclosed
EP-2233558-A1 OXIDATION CATALYST FOR BLEACHING AND BLEACHING COMPOSITION CONTAINING THE SAME Lion Corporation (JP) 2010-09-29 EP disclosed
WO-2009124855-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2009-10-15 WO disclosed
US-20090176681-A1 Bleach composition and bleaching detergent composition KANEDA HIDEYUKI 2009-07-09 US disclosed
US-7524804-B2 Bleach composition and bleaching detergent composition CIBA SPECIALTY CHEMICALS CORP. (US) 2009-04-28 US disclosed
EP-1621605-B1 BLEACH COMPOSITION AND BLEACHING DETERGENT COMPOSITION CIBA HOLDING INC (CH) 2008-06-25 EP disclosed
US-20060293204-A1 Bleach composition and bleaching detergent composition CIBA SPECIALTY CHEMICALS CORP. 2006-12-28 US disclosed
EP-1621605-A1 BLEACH COMPOSITION AND BLEACHING DETERGENT COMPOSITION Ciba Specialty Chemicals Holding Inc. (CH) 2006-02-01 EP disclosed
EP-0148148-A2 Production of sodium alkanoyloxybenzene sulfonate Monsanto Company (US) 1985-07-10 EP 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-20160136627-A1 Bleach Catalysts APEH, H1-4, ALKBH2 PPARG 2881/4885MEN1 4023/4885KMT2A 184/4885

“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.