SCHEMBL340899

SCHEMBL340899

O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2/C1=N/Nc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+].[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 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 1/20 0.34
▸ P2RY12 known ✓ Q9H244 2/20 0.31
▸ LMNA P02545 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ PKM P14618 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ NFKB1 P19838 3/20 0.34
▸ APEX1 P27695 3/20 0.34
▸ RECQL P46063 3/20 0.34
▸ P2RX1 P51575 3/20 0.34
▸ BLM P54132 3/20 0.34
▸ P2RX3 P56373 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ STAT1 P42224 2/20 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
SCHEMBL31679136 1.00 THRB (0.34) THRBLMNAPOLBMAPTPKM
SCHEMBL342186 0.84 THRB (0.34) THRBLMNAPOLBMAPTPKM
SCHEMBL340738 0.84 ALDH1A1 (0.36) LMNAPOLBMAPTPKMTSHR
SCHEMBL14388568 0.82 MEN1 (0.33) THRBPOLBMAPTAPEX1RECQL
SCHEMBL14739721 0.82 MEN1 (0.33) THRBPOLBMAPTAPEX1RECQL
SCHEMBL342250 0.81 THRB (0.37) THRBLMNAPOLBMAPTPKM
SCHEMBL28346763 0.81 ALDH1A1 (0.32) THRBLMNAPOLBMAPTPKM
SCHEMBL340440 0.78 APP (0.41) POLBMAPTKMT2ATDP1ALDH1A1
SCHEMBL1921217 0.75 THRB (0.34) THRBLMNAPOLBMAPTPKM
SCHEMBL29869308 0.75 THRB (0.34) THRBLMNAPOLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891757-B2 Process for dyeing animal textile fibers comprising the use of purified synthetic food dyes VEBACHEM S.R.L.S. (IT) 2024-02-06 — — US claimed
EP-3987112-B1 PROCESS FOR DYEING ANIMAL TEXTILE FIBERS COMPRISING THE USE OF PURIFIED SYNTHETIC FOOD DYES VEBACHEM S R L S (IT) 2023-08-09 — — EP claimed
US-20220349121-A1 PROCESS FOR DYEING ANIMAL TEXTILE FIBERS COMPRISING THE USE OF PURIFIED SYNTHETIC FOOD DYES VEBACHEM S.R.L.S. (IT) 2022-11-03 — — US claimed
CN-114341425-A Dyeing process for animal textile fibres comprising the use of purified synthetic food dyes 韦巴化学有限责任公司 2022-04-12 — — CN claimed
EP-3558462-B1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT OREAL (FR) 2021-01-20 — — EP claimed
US-20210000980-A1 METHOD AND COMPOSITION FOR THE DETECTION OF ARTHROPODS ARKE' S.R.L. (IT) 2021-01-07 — — US claimed
EP-3752834-A1 METHOD AND COMPOSITION FOR THE DETECTION OF ARTHROPODS ARKE' S.r.l. (IT) 2020-12-23 — — EP claimed
US-20200085714-A1 Process for Dyeing and Relaxing Curls of Keratin Fibres, Using Reducing Agents and Hair Dyes, and Associated Kit L'OREAL (FR) 2020-03-19 — — US claimed
EP-3558462-A1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT L'Oreal (FR) 2019-10-30 — — EP claimed
WO-2019159124-A1 METHOD AND COMPOSITION FOR THE DETECTION OF ARTHROPODS ARKE' S.R.L. (IT) 2019-08-22 — — WO claimed
WO-2018115393-A1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT L'OREAL (FR) 2018-06-28 — — WO claimed
EP-1078034-B1 DYED DISHWASHING DETERGENT FOR DISHWASHERS HENKEL KGAA (DE) 2005-07-27 — — EP claimed
EP-1078034-A1 DYED DISHWASHING DETERGENT FOR DISHWASHERS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-02-28 — — EP claimed
WO-1999060088-A1 DYED DISHWASHING DETERGENT FOR DISHWASHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-11-25 — — WO claimed
EP-4678703-A1 INKJET INK AND TABLET Toppan Holdings Inc. (JP) 2026-01-14 — — EP disclosed
US-20260002036-A1 INKJET INK AND TABLET TOPPAN HOLDINGS INC. (JP) 2026-01-01 — — US disclosed
US-20250297072-A1 COLOR CHANGEABLE (METH)ACRYLATE COMPOSITIONS AND METHODS OF USING THE SAME HENKEL AG & CO KGAA (DE) 2025-09-25 — — US disclosed
WO-1999060088-A1 DYED DISHWASHING DETERGENT FOR DISHWASHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-11-25 — — WO disclosed
US-5807604-A SOLVENT MIXTURE COMPRISING TARTRAZINE YELLOW AND AQUEOUS ETHYLENE GLYCOL PRESERVED BOTANICALS, INC. (US) 1998-09-15 — — US disclosed
US-5693361-A SOAKING NATURAL PLANT MATERIALS IN AQUEOUS SOLUTION CONTAINING ETHYLENE GLYCOL AND DISSOLVED CARBON DIOXIDE, FOR DECORATIONS PRESERVED BOTANICALS, INC. (US) 1997-12-02 — — 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 (2 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-20200085714-A1 Process for Dyeing and Relaxing Curls of Keratin Fibres, Using Reducing Agents and Hair Dyes, and Associated Kit KRT18, KIT, KLK5 THRB 2501/4885P2RY12 4615/4885LMNA 455/4885
US-20260002036-A1 INKJET INK AND TABLET FLOT1, ADH1A, ADH1C THRB 2785/4885P2RY12 3927/4885LMNA 3496/4885

“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.

Send feedback