SCHEMBL42027

SCHEMBL42027

CC1=Nc2ccc(S(=O)(=O)[O-])cc2C1(C)CCCCS(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.35

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 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Potassium Ion SCHEMBL560059 0.98 LMNA (0.32) LMNATDP1
Potassium Ion SCHEMBL29713986 0.98 LMNA (0.32) LMNATDP1
Potassium Ion SCHEMBL30372129 0.94 LMNA (0.33) LMNATDP1
Potassium Ion SCHEMBL9929143 0.94 LMNA (0.33) LMNATDP1
SCHEMBL2721462 0.85 CYP26B1 (0.34) LMNATDP1
SCHEMBL20767546 0.82 ALDH1A1 (0.35) LMNATDP1
SCHEMBL15129781 0.81 RXRA (0.30)
SCHEMBL24284312 0.78
SCHEMBL21425128 0.78
SCHEMBL114709 0.78 RXRA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588541-A1 DYE COMPOSITIONS AND DYE SYNTHESES GE Healthcare AS (NO) 2013-05-08 EP disclosed
US-20130095040-A1 DYE COMPOSITIONS AND DYE SYNTHESES GE HEALTHCARE AS (NO) 2013-04-18 US disclosed
US-8148539-B2 Cyanine dye labelling reagents GE HEALTHCARE UK LIMITED (GB) 2012-04-03 US disclosed
WO-2012001063-A1 DYE COMPOSITIONS AND DYE SYNTHESES GE HEALTHCARE AS (NO) 2012-01-05 WO disclosed
EP-1678258-B1 CYANINE DYE LABELLING REAGENTS GE HEALTHCARE LTD (GB) 2011-08-31 EP disclosed
EP-2360211-A1 Fluorescently-labelled target components GE Healthcare Limited (GB) 2011-08-24 EP disclosed
US-20100267937-A1 Cyanine Dye Labelling Reagents WEST RICHARD M 2010-10-21 US disclosed
US-7750163-B2 Cyanine dye labelling reagents GE Healthcare U.K. Limited (GB) 2010-07-06 US disclosed
US-20070203343-A1 Cyanine Dye Labelling Reagents GE HEALTHCARE UK LIMITED (GB) 2007-08-30 US disclosed
EP-1678258-A1 CYANINE DYE LABELLING REAGENTS GE Healthcare Limited (GB) 2006-07-12 EP disclosed
WO-2005044923-A1 CYANINE DYE LABELLING REAGENTS GE HEALTHCARE LIMITED (GB) 2005-05-19 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 (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-20070203343-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 LMNA 2011/4885TDP1 2545/4885
US-20100267937-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 LMNA 1861/4885TDP1 2249/4885
US-20130095040-A1 DYE COMPOSITIONS AND DYE SYNTHESES CD47, CD99, CD68 LMNA 3726/4885TDP1 4412/4885

“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.