Water

Water

SCHEMBL21295578

CN(C)CCS(=O)(=O)O.O

nearest known ligand 0.46

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
PTGS1 known ✓ P23219 1/20 0.46
PDE4A known ✓ P27815 1/20 0.46
CHRM2 known ✓ P08172 1/20 0.31
CHRM4 known ✓ P08173 1/20 0.31
CHRM5 known ✓ P08912 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
LMNA P02545 1/20 0.39
SLC6A6 P31641 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.36
APP P05067 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL361493 0.97
SCHEMBL489665 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
Ammonia Solution, Strong SCHEMBL15643579 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL30018569 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
Potassium SCHEMBL29855512 0.94 PTGS1 (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
Propene SCHEMBL27830357 0.87 PTGS1 (0.40) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL30579953 0.85 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
Water SCHEMBL21226523 0.84 APP (0.44) PTGS1PDE4ALMNASLC6A6CYP2C19
Acrylonitrile SCHEMBL30729961 0.83 ALDH1A1 (0.35) PTGS1PDE4AALDH1A1TSHR
Water SCHEMBL30397698 0.82 APP (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582752-B2 Medical device and method for manufacturing same TERUMO KABUSHIKI KAISHA (JP) 2026-03-24 US 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-114269401-B Medical device and method for manufacturing the same 泰尔茂株式会社 2023-07-04 CN disclosed
CN-114269402-B Medical device and method for manufacturing the same 泰尔茂株式会社 2023-06-09 CN disclosed
WO-2022202805-A1 HYDROPHILIC COPOLYMER AND MEDICAL INSTRUMENT テルモ株式会社 2022-09-29 WO 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-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-2021033765-A1 MEDICAL INSTRUMENT AND METHOD FOR MANUFACTURING SAME 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 (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-12582752-B2 Medical device and method for manufacturing same STS, DEGS1, HPSE PTGS1 171/4885PDE4A 4620/4885CHRM2 1390/4885

“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.