SCHEMBL29859739

SCHEMBL29859739

O=S(=O)([O-])c1cccc(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)c1.[Na+].[Na+]

nearest known ligand 0.79

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 0.79
▸ CA12 known ✓ O43570 1/20 0.44
▸ CA2 known ✓ P00918 1/20 0.44
▸ GLO1 Q04760 5/20 0.64
▸ MAPT P10636 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ APP P05067 1/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ PTPN1 P18031 2/20 0.55
▸ TSHR P16473 1/20 0.54
▸ PTPRA P18433 1/20 0.54
▸ PTPRB P23467 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ RAPGEF4 Q8WZA2 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54

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
SCHEMBL1507664 1.00 THRB (0.79) THRBGLO1MAPTKMT2AGAA
SCHEMBL9343017 0.91 THRB (0.85) THRBGLO1MAPTKMT2AGAA
SCHEMBL29394731 0.91 THRB (0.85) THRBGLO1MAPTKMT2AGAA
SCHEMBL755171 0.91 THRB (0.85) THRBGLO1MAPTKMT2AGAA
SCHEMBL4617673 0.88 KMT2A (0.81) THRBGLO1MAPTKMT2AGAA
SCHEMBL4617674 0.88 KMT2A (0.81) THRBGLO1MAPTKMT2AGAA
E110 SCHEMBL323402 0.88 THRB (1.00) THRBGLO1MAPTKMT2AGAA
E110 SCHEMBL142458 0.88 THRB (1.00) THRBGLO1MAPTKMT2AGAA
E110 SCHEMBL29350765 0.88 THRB (1.00) THRBGLO1MAPTKMT2AGAA
E110 SCHEMBL13276157 0.88 THRB (1.00) THRBGLO1MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12368216-B2 High voltage component for an electric vehicle TICONA LLC (US) 2025-07-22 — — US disclosed
CN-120158945-A One-bath dyeing process for polyester cotton 浙江爱利斯染整有限公司 2025-06-17 — — CN disclosed
CN-119409903-B Preparation method and application of dissolution-assisting compound for reactive printing 四川省纺织科学研究院有限公司 2025-04-08 — — CN disclosed
CN-119648459-A Tailing dam stability analysis method and related device based on GCN-AGRU fusion model 西安建筑科技大学 2025-03-18 — — CN disclosed
CN-119409903-A Preparation method and application of dissolution-assisting compound for reactive printing 四川省纺织科学研究院有限公司 2025-02-11 — — CN disclosed
CN-118308893-B Water-saving polyester cotton printing and dyeing process 绍兴高温印染有限公司 2024-10-25 — — CN disclosed
CN-118308893-A Water-saving polyester cotton printing and dyeing process 绍兴高温印染有限公司 2024-07-09 — — CN disclosed
CN-115198545-B Fabric cleaning processing technology 杭州桑瑞斯新材料有限公司 2024-06-14 — — CN disclosed
EP-4327345-A1 HIGH VOLTAGE COMPONENT FOR AN ELECTRIC VEHICLE Ticona LLC (US) 2024-02-28 — — EP disclosed
CN-116969535-B Sewage treatment agent containing polyaluminium chloride and preparation method thereof 寿光环保科技有限公司 2024-02-23 — — CN disclosed
CN-117501388-A High voltage component for electric vehicle 提克纳有限责任公司 2024-02-02 — — CN disclosed
CN-116969535-A Sewage treatment agent containing polyaluminium chloride and preparation method thereof 寿光环保科技有限公司 2023-10-31 — — CN disclosed
CN-115521637-B Compound thick and deep bright printing reactive scarlet dye 浙江亿得新材料股份有限公司 2023-08-08 — — CN disclosed
CN-111793993-B Anti-printing process of viscose/lyocell/cotton blended fabric 山东黄河三角洲纺织科技研究院有限公司 2022-12-02 — — CN disclosed
WO-2022225749-A1 HIGH VOLTAGE COMPONENT FOR AN ELECTRIC VEHICLE TICONA LLC (US) 2022-10-27 — — WO disclosed
US-20220336931-A1 High Voltage Component for an Electric Vehicle TICONA LLC 2022-10-20 — — US disclosed
US-20220291245-A1 SPECIFIC THC DETECTION DEVICE VERITEQUE USA, INC. 2022-09-15 — — US disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 — — 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-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP THRB 972/4885CA12 314/4885CA2 162/4885

“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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