SCHEMBL634844

SCHEMBL634844

CC1=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2C1(C)C.[Na+].[Na+]

nearest known ligand 0.36

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 12)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.32
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
FOLH1 Q04609 2/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
DUSP5 Q16690 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL136522 0.85 FOLH1 (0.41) KDM4EALDH1A1FOLH1MAPT
SCHEMBL634713 0.83 MAPT (0.34) MAPT
Potassium Ion SCHEMBL21905087 0.82 KDM4E (0.39) KDM4EALDH1A1BLMRXFP1MAPT
Potassium Ion SCHEMBL30704367 0.82 KDM4E (0.39) KDM4EALDH1A1BLMRXFP1MAPT
SCHEMBL19305202 0.81 KDM4E (0.35) KDM4EALDH1A1BLMRXFP1GAA
Potassium Ion SCHEMBL4884512 0.81 FOLH1 (0.40) FOLH1
SCHEMBL30203144 0.80 POLB (0.32) MAPTDUSP5
SCHEMBL25790183 0.79 FOLH1 (0.40) KDM4EALDH1A1FOLH1MAPT
SCHEMBL634270 0.78 MAPT (0.42) KDM4EALDH1A1BLMRXFP1MAPT
SCHEMBL25520341 0.78 MLNR (0.39) KDM4EALDH1A1FOLH1BLMRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100198-B2 Application of reduced dyes in imaging LI-COR, INC. (US) 2018-10-16 US disclosed
EP-2419478-B1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI COR INC (US) 2018-02-28 EP disclosed
EP-2630196-B1 CYANINE DYES AND THEIR CONJUGATES LI COR INC (US) 2017-09-06 EP disclosed
US-20170130050-A1 APPLICATION OF REDUCED DYES IN IMAGING LI-COR, INC. (US) 2017-05-11 US disclosed
US-9470691-B2 Application of reduced dyes in imaging LI-COR, INC. (US) 2016-10-18 US disclosed
US-9408924-B2 Bioconjugates of cyanine dyes LI-COR, INC. (US) 2016-08-09 US disclosed
US-20150119553-A1 BIOCONJUGATES OF CYANINE DYES LI-COR, INC. 2015-04-30 US disclosed
US-8927719-B2 Cyanine dyes and their conjugates LI-COR, INC. (US) 2015-01-06 US disclosed
EP-2771333-A1 APPLICATION OF REDUCED DYES IN IMAGING LI-COR, INC. (US) 2014-09-03 EP disclosed
US-20140213473-A1 APPLICATION OF REDUCED DYES IN IMAGING LI-COR, INC. 2014-07-31 US disclosed
US-20130274452-A1 CYANINE DYES AND THEIR CONJUGATES MIDCAP FINANCIAL TRUST 2013-10-17 US disclosed
EP-2630196-A1 CYANINE DYES AND THEIR CONJUGATES LI-COR, INC. (US) 2013-08-28 EP disclosed
US-8481752-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2013-07-09 US disclosed
WO-2013044156-A1 APPLICATION OF REDUCED DYES IN IMAGING LI-COR, INC. (US) 2013-03-28 WO disclosed
WO-2012054749-A1 CYANINE DYES AND THEIR CONJUGATES LI-COR, INC. (US) 2012-04-26 WO disclosed
EP-2419478-A2 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2012-02-22 EP disclosed
US-20100323389-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2010-12-23 US disclosed
WO-2010121163-A2 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2010-10-21 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 (4 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-20130274452-A1 CYANINE DYES AND THEIR CONJUGATES FCGR3B, QPCT, TIE1 THRB 4216/4885KDM4E 1520/4885ALDH1A1 1529/4885
US-10100198-B2 Application of reduced dyes in imaging HMOX2, HCCS, HMOX1 THRB 4721/4885KDM4E 1108/4885ALDH1A1 624/4885
US-20100323389-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES MSR1, TIE1, ALG1 THRB 4584/4885KDM4E 2442/4885ALDH1A1 1662/4885
US-20150119553-A1 BIOCONJUGATES OF CYANINE DYES FCGR3B, FCGR2A, HCCS THRB 4087/4885KDM4E 2205/4885ALDH1A1 2348/4885

“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.