SCHEMBL1921217

SCHEMBL1921217

O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2/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 1/20 0.31
PARP1 P09874 1/20 0.34
ENTPD1 P49961 1/20 0.31
ENTPD2 Q9Y5L3 1/20 0.31
P2RY11 Q96G91 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 2/20 0.31
NFKB1 P19838 2/20 0.31
APEX1 P27695 2/20 0.31
RECQL P46063 2/20 0.31
P2RX1 P51575 2/20 0.31
BLM P54132 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29869308 1.00 THRB (0.34) THRBPARP1ENTPD1ENTPD2P2RY12
SCHEMBL28997618 0.89 THRB (0.35) THRBENTPD1ENTPD2APEX1RECQL
SCHEMBL342186 0.87 THRB (0.34) THRBENTPD1ENTPD2P2RY12P2RY11
SCHEMBL2866129 0.86 RECQL (0.34) PARP1LMNAPOLBMAPTRECQL
SCHEMBL14739104 0.81 MEN1 (0.36) THRBKMT2ATDP1MEN1CYP1A2
SCHEMBL14739102 0.81 MEN1 (0.36) THRBKMT2ATDP1MEN1CYP1A2
SCHEMBL15115352 0.81 MEN1 (0.36) THRBKMT2ATDP1MEN1CYP1A2
SCHEMBL1639154 0.80 PLCG1 (0.34) THRB
SCHEMBL28997616 0.80 MEN1 (0.35) THRBKMT2ATDP1MEN1CYP1A2
SCHEMBL5359195 0.79 EIF2AK2 (0.34) PARP1P2RY12LMNATDP1PTPN1

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 144 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-1020178-B1 Dental bleaching system and method ADDENT INC (US) 2003-10-01 EP claimed
EP-1020178-A1 Dental bleaching system and method AdDent Inc. (US) 2000-07-19 EP claimed
US-6036493-A Dental bleaching system and method AD DENT INC. (US) 2000-03-14 US claimed
US-12540201-B2 Decoloration of polyolefins in the melt state BOREALIS GMBH (AT) 2026-02-03 US disclosed
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
EP-3778795-B1 INKJET INK AND TABLET TOPPAN PRINTING CO LTD (JP) 2025-08-13 EP disclosed
CN-119318944-B Solid phase extraction material and preparation method and application thereof 问度色谱科技(杭州)有限公司 2025-04-25 CN disclosed
US-20250108658-A1 INKJET PRINTING PROCESSES FOR TEMPORARY TATTOOS Prism Inks, Inc. (US) 2025-04-03 US disclosed
WO-2001091585-A2 LOW-STAINING ORANGE FOOD COLORING COMPOSITION PEPSICO, INC. (US) 2001-12-06 WO disclosed
WO-2001041710-A1 TARTAR CONTROL DENTURE ADHESIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 WO disclosed
EP-1078034-A1 DYED DISHWASHING DETERGENT FOR DISHWASHERS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-02-28 EP disclosed
US-6123848-A Ultrafiltration method for purifying water-insoluble aluminum hydrates WARNER-JENKINSON COMPANY, INC. (US) 2000-09-26 US disclosed
EP-1020178-A1 Dental bleaching system and method AdDent Inc. (US) 2000-07-19 EP disclosed
US-6036493-A Dental bleaching system and method AD DENT INC. (US) 2000-03-14 US disclosed
WO-1999060088-A1 DYED DISHWASHING DETERGENT FOR DISHWASHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-11-25 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 (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-20260002036-A1 INKJET INK AND TABLET FLOT1, ADH1A, ADH1C THRB 2785/4885P2RY12 3927/4885PARP1 1655/4885
US-12540201-B2 Decoloration of polyolefins in the melt state HMOX2, PPOX, HMOX1 THRB 1231/4885P2RY12 4077/4885PARP1 710/4885

“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.