SCHEMBL30118451

SCHEMBL30118451

CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+]

nearest known ligand 0.63

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
▸ CA1 known ✓ P00915 5/20 0.42
▸ CA2 known ✓ P00918 5/20 0.42
▸ CA12 known ✓ O43570 1/20 0.37
▸ PTPN1 P18031 2/20 0.63
▸ APEX1 P27695 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48
▸ DUSP5 Q16690 1/20 0.48
▸ CASP6 P55212 1/20 0.45
▸ CA9 Q16790 5/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GRK2 P25098 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ NT5E P21589 1/20 0.36

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
SCHEMBL5147096 1.00 PTPN1 (0.63) PTPN1APEX1SIRT1PRMT1DUSP5
SCHEMBL29516436 0.85 APEX1 (0.64) PTPN1APEX1PRMT1CASP6CA1
SCHEMBL29575995 0.85 APEX1 (0.64) PTPN1APEX1PRMT1CASP6CA1
SCHEMBL1413179 0.85 APEX1 (0.64) PTPN1APEX1PRMT1CASP6CA1
SCHEMBL8010537 0.84 APEX1 (0.63) PTPN1APEX1PRMT1CASP6CA1
SCHEMBL5147103 0.84 APEX1 (0.63) PTPN1APEX1PRMT1CASP6CA1
SCHEMBL9411862 0.80 APEX1 (0.77) PTPN1APEX1SIRT1PRMT1DUSP5
Chromotropate SCHEMBL564557 0.79 PTPN1 (1.00) PTPN1APEX1SIRT1PRMT1DUSP5
SCHEMBL11589914 0.78 APEX1 (0.59) PTPN1APEX1SIRT1PRMT1DUSP5
SCHEMBL2618015 0.77 APEX1 (0.55) PTPN1APEX1PRMT1CASP6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221408-A1 COMPOSITION EARTH CORPORATION (JP) 2025-07-10 — — US disclosed
CN-119114152-A Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2024-12-13 — — CN disclosed
EP-4473837-A1 COMPOSITION Earth Corporation (JP) 2024-12-11 — — EP disclosed
CN-118695780-A Composition and method for producing the same 阿斯制药株式会社 2024-09-24 — — CN disclosed
CN-110769931-B Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2024-09-17 — — CN disclosed
US-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD ACENET INC. (JP) 2024-01-04 — — US disclosed
CN-117281115-A Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2023-12-26 — — CN disclosed
US-20230263710-A1 ORAL CARE AGENT OSAKA UNIVERSITY (JP) 2023-08-24 — — US disclosed
EP-4230042-A1 ANTIPATHOGENIC DRUG, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN PROCESSING DEVICE, METHOD FOR PRODUCING ANTIPATHOGENIC DRUG, ANTIBACTERIAL METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN PROCESSING METHOD Acenet Inc. (JP) 2023-08-23 — — EP disclosed
CN-116322332-A Antipathogenic agent, antibacterial agent, antiviral agent, pathogen treatment device, method for producing antipathogenic agent, antibacterial method, virus inactivation method, and pathogen treatment method 株式会社ACENET 2023-06-23 — — CN disclosed
EP-4147703-A1 EPITHELIAL CANCER THERAPEUTIC AGENT OSAKA UNIVERSITY (JP) 2023-03-15 — — EP disclosed
CN-115666593-A Therapeutic agent for epithelial cancer 国立大学法人大阪大学 2023-01-31 — — CN 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 (3 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-20230263710-A1 ORAL CARE AGENT TAS2R39, TAS2R40, TAS2R45 CA1 2268/4885CA2 1770/4885CA12 660/4885
US-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD EIF2AK2, HAO2, ZC3HAV1 CA1 3911/4885CA2 2225/4885CA12 2256/4885
US-20250221408-A1 COMPOSITION GGPS1, PGGT1B, HBG2 CA1 2324/4885CA2 2673/4885CA12 2951/4885

“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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