SCHEMBL602280

SCHEMBL602280

Nc1ccc(-c2ccc(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.46

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
P2RY12 known ✓ Q9H244 1/20 0.46
PPARG known ✓ P37231 1/20 0.41
CA12 known ✓ O43570 1/20 0.38
CA1 known ✓ P00915 1/20 0.38
CA2 known ✓ P00918 1/20 0.38
CA4 known ✓ P22748 1/20 0.38
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPRC P08575 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41

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
Lithium Ion SCHEMBL8489528 0.96 P2RY12 (0.42) P2RY12TSHRALDH1A1NPC1RAB9A
SCHEMBL7098523 0.84 L3MBTL1 (0.45) P2RY12TSHRALDH1A1CYP3A4TDP1
SCHEMBL29575161 0.83 TSHR (0.44) P2RY12TSHRALDH1A1CYP3A4TDP1
SCHEMBL10487048 0.83 TSHR (0.44) P2RY12TSHRALDH1A1CYP3A4TDP1
SCHEMBL14576109 0.79 PTGS1 (0.60) P2RY12TSHRALDH1A1CYP3A4TDP1
SCHEMBL28660366 0.79 L3MBTL1 (0.50) P2RY12TSHRALDH1A1NPC1RAB9A
Potassium Ion SCHEMBL7752290 0.78 TSHR (0.44) P2RY12TSHRALDH1A1CYP3A4TDP1
Lithium Ion SCHEMBL28830257 0.78 TSHR (0.44) P2RY12TSHRALDH1A1CYP3A4TDP1
SCHEMBL3396550 0.78 L3MBTL1 (0.44) P2RY12TSHRALDH1A1CYP3A4TDP1
SCHEMBL29386214 0.78 L3MBTL1 (0.44) P2RY12TSHRALDH1A1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785362-B2 Triazine derivative dye transfer inhibitors, washing products containing the same and uses therefor HENKEL AG & CO. KGAA (DE) 2014-07-22 US disclosed
US-8263541-B2 comprising a dye transfer inhibitor selected from triazine derivatives such as N,N'-bis-[2-chloro-4(sulfonaphth-1-yl-amino)-triazin-6-yl]-1,2-diaminoethane, optionally mixed with polymers and an aqueous solution of surfactants; colorfastness HENKEL AG & CO. KGAA (DE) 2012-09-11 US disclosed
US-20120196785-A1 TRIAZINE DERIVATIVE DYE TRANSFER INHIBITORS, WASHING PRODUCTS CONTAINING THE SAME AND USES THEREFOR HENKEL AG & CO. KGAA (DE) 2012-08-02 US disclosed
US-20120040881-A1 GRAYING-INHIBITING WASHING AGENT Henkel AG & KGaA (DE) 2012-02-16 US disclosed
EP-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-20080234167-A1 Colour Protection Washing Product HENKEL KGAA (DE) 2008-09-25 US disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed
EP-0254294-B1 METHOD OF PROCESSING A SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL AND A COLOR DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1992-12-23 EP disclosed
US-5064751-A Stability, antifogging FUJI PHOTO FILM CO., LTD. (JP) 1991-11-12 US disclosed
EP-0254294-A2 Method of processing a silver halide color photographic material and a color developer FUJI PHOTO FILM CO., LTD. (JP) 1988-01-27 EP disclosed
US-4122088-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-24 US disclosed
US-4119784-A Anionic substituted sulfonamido biphenyls AMERICAN CYANAMID COMPANY (US) 1978-10-10 US disclosed
US-4107202-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-08-15 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 (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-20120040881-A1 GRAYING-INHIBITING WASHING AGENT WASHC5, GYPA, ACHE P2RY12 3292/4885PPARG 1129/4885CA12 2769/4885

“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.