SCHEMBL29489969

SCHEMBL29489969

O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)ccc2c1.O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)ccc2c1.[Na+].[Na+]

nearest known ligand 0.88

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 0.88
▸ CYP1A2 P05177 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ TSHR P16473 1/20 0.57
▸ PTPRA P18433 1/20 0.57
▸ PTPRB P23467 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ RAPGEF4 Q8WZA2 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ PTPN1 P18031 2/20 0.55
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ APP P05067 1/20 0.54
▸ SENP7 Q9BQF6 2/20 0.50
▸ SUMO2 P61956 1/20 0.50

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
SCHEMBL3196947 1.00 THRB (0.88) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL4808237 1.00 THRB (0.88) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL142458 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL13276157 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL29350765 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL323402 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL30486026 0.93 CYP1A2 (0.83) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL30940027 0.92 CYP1A2 (0.85) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL628908 0.92 CYP1A2 (0.85) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL112146 0.92 CYP1A2 (0.85) THRBCYP1A2CYP2C9TSHRPTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986979-A1 DEFECT MEDIATED LYOTROPIC NEMATIC GEL The University Court Of The University of Edinburgh (GB) 2022-04-27 — — EP claimed
US-20250367330-A1 OPTICAL CLEARING ENABLED BY THE KRAMERS-KRONIG RELATION UNIV LELAND STANFORD JUNIOR (US) 2025-12-04 — — US disclosed
CN-117736498-A Colored organic peroxide compositions 阿科玛股份有限公司 2024-03-22 — — CN disclosed
EP-4298185-A1 A SYSTEM COMPRISING A NEMATIC LIQUID CRYSTAL AND AN INTERFACE The University Court Of The University of Edinburgh (GB) 2024-01-03 — — EP disclosed
WO-2022238678-A1 A SYSTEM COMPRISING A NEMATIC LIQUID CRYSTAL AND AN INTERFACE THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2022-11-17 — — WO disclosed
EP-4054523-A1 ORALLY ADMINISTRABLE FILMS COMPRISING POORLY WATER SOLUBLE ACTIVE INGREDIENTS AND PREPARATION THEREOF Maabarot Products Ltd. (IL) 2022-09-14 — — EP disclosed
EP-3986979-A1 DEFECT MEDIATED LYOTROPIC NEMATIC GEL The University Court Of The University of Edinburgh (GB) 2022-04-27 — — EP 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-20250367330-A1 OPTICAL CLEARING ENABLED BY THE KRAMERS-KRONIG RELATION TNNC1, GYS1, MUSK THRB 4429/4885CYP1A2 1361/4885CYP2C9 1104/4885

“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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