Water

Water

SCHEMBL29459684

O.O=S(=O)([O-])c1cc(N=C=S)ccc1C=Cc1ccc(N=C=S)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. 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
RAD51 Q06609 11/20 0.97
KDM4E B2RXH2 2/20 0.97
USP2 O75604 2/20 0.97
ALDH1A1 P00352 2/20 0.97
LTA P01374 2/20 0.97
CYP3A4 P08684 2/20 0.97
MAPT P10636 2/20 0.97
HPGD P15428 2/20 0.97
P2RX3 P56373 2/20 0.97
HSD17B10 Q99714 2/20 0.97
TDP1 Q9NUW8 2/20 0.97
RAD1 O60671 1/20 0.68
P2RY6 Q15077 1/20 0.68
APEX1 P27695 1/20 0.48
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SENP3 Q9H4L4 4/20 0.38
SENP2 Q9HC62 4/20 0.38
SENP1 Q9P0U3 4/20 0.38
SUMO2 P61956 3/20 0.38

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
SCHEMBL7903158 0.98 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL439382 0.98 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29523045 0.98 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL31196489 0.98 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL30889118 0.84 RAD51 (0.75) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29627175 0.83 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL2415107 0.83 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL2333709 0.83 RAD51 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29350628 0.81 P2RY6 (1.00) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29351286 0.81 P2RY6 (1.00) RAD51KDM4EUSP2ALDH1A1LTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024210479-A1 COMPOSITION CONTAINING LOW-MOLECULAR-WEIGHT COMPOUND AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER 주식회사 에스씨엘테라퓨틱스 2024-10-10 WO claimed
US-12287336-B2 Protein for rapid, efficient capture of antigens MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-04-29 US disclosed
WO-2024210479-A1 COMPOSITION CONTAINING LOW-MOLECULAR-WEIGHT COMPOUND AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER 주식회사 에스씨엘테라퓨틱스 2024-10-10 WO disclosed
US-20240325517-A1 COMPOSITIONS AND METHODS TARGETING FILAMENTOUS BACTERIOPHAGE INIMMUNE CORPORATION 2024-10-03 US disclosed
EP-4133263-B1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES ARES TRADING SA (CH) 2024-05-22 EP disclosed
US-20230408515-A1 ENGINEERED PROTEIN FOR RAPID, EFFICIENT CAPTURE OF PATHOGEN-SPECIFIC ANTIBODIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-12-21 US disclosed
US-20230305002-A1 PROTEIN FOR RAPID, EFFICIENT CAPTURE OF ANTIGENS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-11740236-B2 Protein for rapid, efficient capture of antigens MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-08-29 US disclosed
EP-4213943-A1 COMPOSITIONS AND METHODS TARGETING FILAMENTOUS BACTERIOPHAGE The University Of Montana (US) 2023-07-26 EP disclosed
US-20230152275-A1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES ARES TRADING S.A. (CH) 2023-05-18 US disclosed
US-11598769-B2 Oligomerized protein-polymer conjugates MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-03-07 US disclosed
EP-4133263-A1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES Ares Trading S.A. (CH) 2023-02-15 EP disclosed
CN-115398219-A Capillary gel electrophoresis and its use in complex biomolecules 阿瑞斯贸易股份公司 2022-11-25 CN disclosed
WO-2022103797-A1 ENGINEERED PROTEIN FOR RAPID, EFFICIENT CAPTURE OF PATHOGEN-SPECIFIC ANTIBODIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-05-19 WO disclosed
WO-2022103793-A1 ENGINEERED PROTEINS THAT BIND THE SARS-COV-2 NUCLEOCAPSID PROTEIN MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-05-19 WO disclosed
WO-2022060905-A1 COMPOSITIONS AND METHODS TARGETING FILAMENTOUS BACTERIOPHAGE THE UNIVERSITY OF MONTANA (US) 2022-03-24 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 (5 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-20230305002-A1 PROTEIN FOR RAPID, EFFICIENT CAPTURE OF ANTIGENS CD2BP2, HSPBP1, CD74 RAD51 2050/4885KDM4E 4276/4885USP2 1042/4885
US-12287336-B2 Protein for rapid, efficient capture of antigens CD2BP2, HSPBP1, CD74 RAD51 2050/4885KDM4E 4276/4885USP2 1042/4885
US-20230408515-A1 ENGINEERED PROTEIN FOR RAPID, EFFICIENT CAPTURE OF PATHOGEN-SPECIFIC ANTIBODIES SARS1, CD2BP2, ACE2 RAD51 1971/4885KDM4E 3927/4885USP2 745/4885
US-20240325517-A1 COMPOSITIONS AND METHODS TARGETING FILAMENTOUS BACTERIOPHAGE TLR8, TLR3, TLR4 RAD51 2125/4885KDM4E 1955/4885USP2 2055/4885
US-11740236-B2 Protein for rapid, efficient capture of antigens CD2BP2, HSPBP1, CD74 RAD51 2050/4885KDM4E 4276/4885USP2 1042/4885

“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.