Water

Water

SCHEMBL21295559

CCN(CC)CCCS(=O)(=O)O.O

nearest known ligand 0.48

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 17)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.33
PDE4A known ✓ P27815 1/20 0.33
SIGMAR1 known ✓ Q99720 2/20 0.31
NPSR1 Q6W5P4 1/20 0.48
APP P05067 1/20 0.41
PAOX Q6QHF9 1/20 0.39
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
USP2 O75604 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
EPHX2 P34913 1/20 0.32
ARG1 P05089 2/20 0.31
ARG2 P78540 2/20 0.31

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
SCHEMBL918207 0.98 NPSR1 (0.50) NPSR1APPPAOXALDH1A1LMNA
SCHEMBL2185541 0.91 NPSR1 (0.44) NPSR1APPPAOXALDH1A1LMNA
SCHEMBL15345862 0.91 NPSR1 (0.48) NPSR1APPPAOXALDH1A1LMNA
Sulfuric Acid SCHEMBL29054619 0.89 NPSR1 (0.52) NPSR1APPPAOXALDH1A1LMNA
SCHEMBL27938410 0.89 NPSR1 (0.47) NPSR1APPPAOXALDH1A1LMNA
SCHEMBL14686407 0.87 NPSR1 (0.42) NPSR1APPPAOXLMNAPTGS1
SCHEMBL17833359 0.87 NPSR1 (0.42) NPSR1APPPAOXLMNAPTGS1
Water SCHEMBL21295561 0.86 NPSR1 (0.42) NPSR1APPPAOXALDH1A1LMNA
SCHEMBL3117109 0.83 NPSR1 (0.44) NPSR1APPPAOXALDH1A1LMNA
Eprodisate SCHEMBL23795566 0.83 APP (0.46) NPSR1APPPAOXALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102544-A1 MEDICAL DEVICE AND METHOD FOR MANUFACTURING THE SAME TERUMO KABUSHIKI KAISHA (JP) 2026-04-16 US disclosed
EP-4725515-A1 MEDICAL INSTRUMENT AND PRODUCTION METHOD FOR SAME Terumo Kabushiki Kaisha (JP) 2026-04-15 EP disclosed
US-12582752-B2 Medical device and method for manufacturing same TERUMO KABUSHIKI KAISHA (JP) 2026-03-24 US disclosed
WO-2024257760-A1 MEDICAL INSTRUMENT AND PRODUCTION METHOD FOR SAME テルモ株式会社 2024-12-19 WO disclosed
US-12054564-B2 Medical device and method for manufacturing same TERUMO KABUSHIKI KAISHA (JP) 2024-08-06 US disclosed
EP-4005794-B1 MEDICAL INSTRUMENT AND METHOD FOR MANUFACTURING SAME TERUMO CORP (JP) 2024-07-10 EP disclosed
EP-3747479-B1 MEDICAL INSTRUMENT TERUMO CORP (JP) 2024-05-29 EP disclosed
US-11872326-B2 Medical instrument TERUMO KABUSHIKI KAISHA (JP) 2024-01-16 US disclosed
CN-114269400-B Medical device and method for manufacturing the same 泰尔茂株式会社 2023-12-19 CN disclosed
CN-114269399-B Medical device and method for manufacturing the same 泰尔茂株式会社 2023-09-19 CN disclosed
CN-114269402-A Medical device and method of manufacturing the same 泰尔茂株式会社 2022-04-01 CN disclosed
CN-114269400-A Medical device and method of manufacturing the same 泰尔茂株式会社 2022-04-01 CN disclosed
CN-114269401-A Medical device and method of manufacturing the same 泰尔茂株式会社 2022-04-01 CN disclosed
CN-114269399-A Medical device and method of manufacturing the same 泰尔茂株式会社 2022-04-01 CN disclosed
WO-2021033765-A1 MEDICAL INSTRUMENT AND METHOD FOR MANUFACTURING SAME テルモ株式会社 2021-02-25 WO disclosed
WO-2021033769-A1 MEDICAL INSTRUMENT AND METHOD FOR MANUFACTURING SAME テルモ株式会社 2021-02-25 WO disclosed
WO-2021033764-A1 MEDICAL INSTRUMENT AND PRODUCTION METHOD THEREFOR テルモ株式会社 2021-02-25 WO disclosed
WO-2021033767-A1 MEDICAL INSTRUMENT AND MANUFACTURING METHOD THEREFOR テルモ株式会社 2021-02-25 WO disclosed
WO-2021033763-A1 MEDICAL INSTRUMENT AND METHOD FOR MANUFACTURING SAME テルモ株式会社 2021-02-25 WO disclosed
WO-2019163764-A1 MEDICAL INSTRUMENT テルモ株式会社 2019-08-29 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 (2 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-12582752-B2 Medical device and method for manufacturing same STS, DEGS1, HPSE PTGS1 171/4885PDE4A 4620/4885SIGMAR1 60/4885
US-20260102544-A1 MEDICAL DEVICE AND METHOD FOR MANUFACTURING THE SAME F9, F2, H1-0 PTGS1 259/4885PDE4A 4545/4885SIGMAR1 2405/4885

“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.