SCHEMBL2859661

SCHEMBL2859661

Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N/N=C5/C(=O)C=Cc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c65)c(C)c4)cc3C)cc2)cc1.[Na+].[Na+]

nearest known ligand 0.55

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
▸ THRB known ✓ P10828 2/20 0.55
▸ CA12 known ✓ O43570 2/20 0.31
▸ CA2 known ✓ P00918 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ ALOX12 P18054 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PTPN1 P18031 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALB P02768 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ HSPE1 P61604 1/20 0.33

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
SCHEMBL29366607 0.71 THRB (1.00) ALDH1A1CYP3A4THRBALOX15ALOX12
SCHEMBL340899 0.71 THRB (0.34) ALDH1A1CYP3A4THRBRECQLHSD17B10
SCHEMBL31679136 0.71 THRB (0.34) ALDH1A1CYP3A4THRBRECQLHSD17B10
SCHEMBL29482552 0.69 ALDH1A1 (0.78) ALDH1A1CYP3A4THRBALOX15ALOX12
SCHEMBL340738 0.66 ALDH1A1 (0.36) ALDH1A1CYP3A4RECQLHSD17B10TDP1
SCHEMBL29637843 0.64 THRB (0.85) ALDH1A1CYP3A4THRBALOX15ALOX12
SCHEMBL29892362 0.64 ALDH1A1 (0.44) ALDH1A1CYP3A4THRBALOX15ALOX12
SCHEMBL2871328 0.64 SMN1; SMN2 (0.49) ALDH1A1CYP3A4THRBALOX15ALOX12
SCHEMBL29893274 0.63 ATIC (0.55) ALDH1A1CYP3A4THRBALOX15ALOX12
SCHEMBL2855839 0.63 P2RY12 (0.35) ALDH1A1CYP3A4THRBALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114371244-A Quality control method for banned azo dye detection of textile 中纺标检验认证股份有限公司 2022-04-19 — — CN claimed
WO-2004013178-A1 FUSION PROTEINS BETWEEN A FLUORESCENT PROTEIN AND AN IONOTROPIC RECEPTOR AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-02-12 — — WO claimed
EP-0986759-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-03-22 — — EP claimed
WO-1998055873-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-10 — — WO claimed
CN-114371244-A Quality control method for banned azo dye detection of textile 中纺标检验认证股份有限公司 2022-04-19 — — CN disclosed
US-10589003-B2 Methods for coating surfaces with antimicrobial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-17 — — US disclosed
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 — — US disclosed
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE BRIGHT INTERNATIONAL CORP. (US) 2017-02-09 — — US disclosed
WO-2015160841-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE BRIGHT INTERNATIONAL CORP. (US) 2015-10-22 — — WO disclosed
US-7713472-B2 Antiseptic derivatives with broad spectrum antimicrobial activity for the impregnation of surfaces BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-05-11 — — US disclosed
US-7651661-B2 Medical devices with broad spectrum antimicrobial activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 — — US disclosed
US-20080183152-A1 MEDICAL DEVICES WITH BROAD SPECTRUM ANTIMICROBIAL ACTIVITY RAAD ISSAM 2008-07-31 — — US disclosed
US-20050059036-A1 Use of a fluorescent protein for detecting interaction between a target protein and its ligand CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-03-17 — — US disclosed
EP-1514112-A2 METHOD FOR ISOLATING AN ALLOSTERIC EFFECTOR OF A RECEPTOR CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-03-16 — — EP disclosed
WO-2004013178-A1 FUSION PROTEINS BETWEEN A FLUORESCENT PROTEIN AND AN IONOTROPIC RECEPTOR AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-02-12 — — WO disclosed
WO-2003107004-A2 METHOD FOR ISOLATING AN ALLOSTERIC EFFECTOR OF A RECEPTOR CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-12-24 — — WO disclosed
EP-0986759-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-03-22 — — EP disclosed
WO-1998055873-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-10 — — WO disclosed
US-5618726-A DYE HAVING LIGNIN-LIKE SUBSTITUTION PATTERN AND A MICROBE CAPABLE OF PRODUCING EXTRACELLULAR PEROXIDASE IDAHO RESEARCH FOUNDATION, INC. (US) 1997-04-08 — — US disclosed
US-5486214-A MONO OR DISAZO DYES, LIGNIN PEROXIDASE AND VERATRYL ALCOHOL MIXTURE FOR DEGRADATION OF DYES IDAHO RESEARCH FOUNDATION, INC. (US) 1996-01-23 — — 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 (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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 THRB 4713/4885CA12 1935/4885CA2 4162/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 THRB 4713/4885CA12 1935/4885CA2 4162/4885
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE SMOX, TET2, TST THRB 3469/4885CA12 480/4885CA2 148/4885

“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.

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