Evans Blue Free Acid

Evans Blue Free Acid

SCHEMBL2437648

Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 Evans Blue Free Acid. 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
THRB known ✓ P10828 6/20 0.77
ENPP2 Q13822 3/20 1.00
HSPD1 P10809 2/20 1.00
HSPE1 P61604 2/20 1.00
TST Q16762 2/20 1.00
PTPN1 P18031 2/20 1.00
ALB P02768 1/20 1.00
CYP3A4 P08684 5/20 0.77
MAPK1 P28482 5/20 0.77
RECQL P46063 5/20 0.77
HSD17B10 Q99714 5/20 0.77
HPGD P15428 4/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
KDM4E B2RXH2 3/20 0.77
TDP1 Q9NUW8 3/20 0.77
CYP2C9 P11712 2/20 0.77
CYP2C19 P33261 2/20 0.77
APEX1 P27695 2/20 0.77
USP2 O75604 2/20 0.77

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
Evans Blue Free Acid SCHEMBL103701 1.00 ENPP2 (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Evans Blue Free Acid SCHEMBL29377040 1.00 ENPP2 (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Evans Blue Free Acid SCHEMBL30392230 1.00 ENPP2 (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Evans Blue Free Acid SCHEMBL29601874 1.00 ENPP2 (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Evans Blue Free Acid SCHEMBL29381789 1.00 ENPP2 (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Evans Blue Free Acid SCHEMBL29609615 0.87 MEN1 (0.98) ENPP2HSPD1HSPE1TSTPTPN1
Chicago Sky Blue SCHEMBL93506 0.87 THRB (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Chicago Sky Blue SCHEMBL29358365 0.87 THRB (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Chicago Sky Blue SCHEMBL29401288 0.87 THRB (1.00) ENPP2HSPD1HSPE1TSTPTPN1
Chicago Sky Blue SCHEMBL30201536 0.87 THRB (1.00) ENPP2HSPD1HSPE1TSTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426280-B1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2026-03-18 EP disclosed
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2025-02-20 US disclosed
WO-2023111938-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA, Alexandre (CH) 2023-06-22 WO disclosed
WO-2011109650-A1 METHOD OF TREATING ACUTE LUNG INJURY USING SPHINGOSINE 1 PHOSPHATE ANALOGES OR SPHINGOSINE 1 PHOSPHATE RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-09 WO disclosed
US-7122572-B2 For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2006-10-17 US disclosed
US-7041819-B2 Halogenated calixpyrroles and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-09 US disclosed
US-6984734-B2 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-01-10 US disclosed
US-20030229131-A1 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-12-11 US disclosed
WO-2003018548-A2 HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-03-06 WO disclosed
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-22 US disclosed
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines BOARD OF REGENTS, THE 2002-02-28 US disclosed
US-6262257-B1 SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2001-07-17 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 (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-20030229131-A1 Cyclo[n]pyrroles and methods thereto PPOX, QPCT, PPIE THRB 4833/4885ENPP2 2037/4885HSPD1 3048/4885
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 THRB 2317/4885ENPP2 4682/4885HSPD1 510/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR THRB 4320/4885ENPP2 3271/4885HSPD1 1131/4885
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS P2RX2, P2RX3, P2RX1 THRB 1531/4885ENPP2 41/4885HSPD1 2873/4885

“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.