SCHEMBL2730685

SCHEMBL2730685

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

nearest known ligand 0.52

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
▸ P2RY12 known ✓ Q9H244 1/20 0.34
▸ PTPN1 P18031 3/20 0.52
▸ USP2 O75604 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DUSP5 Q16690 3/20 0.45
▸ NT5E P21589 1/20 0.43
▸ APP P05067 1/20 0.42
▸ APEX1 P27695 2/20 0.40
▸ CYP1A2 P05177 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ PLEC Q15149 1/20 0.35
▸ DUSP6 Q16828 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL31274741 0.92 NT5E (0.57) PTPN1USP2ATML3MBTL1DUSP5
SCHEMBL591402 0.92 NT5E (0.57) PTPN1USP2ATML3MBTL1DUSP5
Water SCHEMBL29259108 0.91 NT5E (0.55) PTPN1USP2ATML3MBTL1DUSP5
Water SCHEMBL29461458 0.91 NT5E (0.55) PTPN1USP2ATML3MBTL1DUSP5
SCHEMBL19043006 0.88 PTPN1 (0.51) PTPN1USP2ATML3MBTL1DUSP5
SCHEMBL16628527 0.83 DUSP5 (0.59) PTPN1USP2ATML3MBTL1DUSP5
SCHEMBL11429350 0.83 DUSP5 (0.68) PTPN1USP2ATML3MBTL1DUSP5
SCHEMBL6840783 0.80 PTPN1 (0.76) PTPN1USP2ATML3MBTL1DUSP5
SCHEMBL3100229 0.80 PTPN1 (0.76) PTPN1USP2ATML3MBTL1DUSP5
SCHEMBL29976911 0.80 PTPN1 (0.76) PTPN1USP2ATML3MBTL1DUSP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250003975-A1 Systems and Methods for Performing a Real-Time Glycan Assay of a Sample AMGEN INC. (US) 2025-01-02 — — US claimed
CN-110892267-B System and method for real-time glycan determination of a sample 安进公司 2024-08-09 — — CN claimed
EP-3662288-B1 SYSTEMS AND METHODS FOR PERFORMING A REAL-TIME GLYCAN ASSAY OF A SAMPLE AMGEN INC (US) 2024-02-28 — — EP claimed
CN-115960021-B Thickened oil viscosity reducer for improving crude oil recovery ratio and synthesis method thereof 胜利油田物华化工厂 2023-10-20 — — CN claimed
EP-4397977-B1 SYSTEMS AND METHODS FOR PREPARING A SAMPLE AND PERFORMING A REAL-TIME ASSAY OF THE SAMPLE AMGEN INC (US) 2026-04-29 — — EP disclosed
US-12352755-B2 Systems and methods for preparing a sample and performing a real-time assay of the sample AMGEN INC. (US) 2025-07-08 — — US disclosed
US-20250003975-A1 Systems and Methods for Performing a Real-Time Glycan Assay of a Sample AMGEN INC. (US) 2025-01-02 — — US disclosed
CN-110892267-B System and method for real-time glycan determination of a sample 安进公司 2024-08-09 — — CN disclosed
EP-4397977-A2 SYSTEMS AND METHODS FOR PREPARING A SAMPLE AND PERFORMING A REAL-TIME ASSAY OF THE SAMPLE Amgen Inc. (US) 2024-07-10 — — EP disclosed
US-12025618-B2 Systems and methods for performing a real-time glycan assay of a sample AMGEN INC. (US) 2024-07-02 — — US disclosed
EP-3924083-B1 SYSTEMS AND METHODS FOR PREPARING A SAMPLE AND PERFORMING A REAL-TIME ASSAY OF THE SAMPLE AMGEN INC (US) 2024-05-15 — — EP disclosed
EP-3662288-B1 SYSTEMS AND METHODS FOR PERFORMING A REAL-TIME GLYCAN ASSAY OF A SAMPLE AMGEN INC (US) 2024-02-28 — — EP disclosed
US-4178308-A Process for the preparation of 1-amino-8-naphthol-3,6-disulphonic acid (H-acid) BAYER AKTIENGESELLSCHAFT (DE) 1979-12-11 — — US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 — — US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
US-4120892-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-17 — — US disclosed
US-4120893-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-17 — — US disclosed
US-4107201-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-08-15 — — US disclosed
US-4102917-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-07-25 — — US disclosed
US-4096174-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-06-20 — — US disclosed
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