Water

Water

SCHEMBL2773218

O.O.O=C1NC(=O)C(O)(C2(O)C(=O)NC(=O)NC2=O)C(=O)N1

nearest known ligand 0.39

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 15)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 5/20 0.34
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
OGT O15294 1/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MMP9 P14780 7/20 0.34
MMP2 P08253 6/20 0.34
TP53 P04637 1/20 0.34
TDP2 O95551 1/20 0.33
SMAD3 P84022 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL4559714 0.97 LMNA (0.41) LMNAMAPTKDM4EOGTUSP2
SCHEMBL137702 0.97 LMNA (0.41) LMNAMAPTKDM4EOGTUSP2
SCHEMBL472442 0.76 LMNA (0.41) LMNAMAPTKDM4EOGTUSP2
SCHEMBL8609376 0.73 LMNA (0.39) LMNAMAPTKDM4EOGTUSP2
SCHEMBL8415310 0.67 LMNA (0.59) LMNAKDM4EMMP9MMP2TP53
SCHEMBL2873513 0.64
SCHEMBL4686843 0.63
SCHEMBL472532 0.62 LMNA (0.41) LMNAMAPTKDM4EOGTUSP2
SCHEMBL1980551 0.62 LMNA (0.41) LMNAMAPTKDM4EOGTUSP2
SCHEMBL17294203 0.59 MMP9 (0.39) LMNAMAPTMMP9MMP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552882-B2 Polymeric disinfectants and uses thereof TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2026-02-17 US disclosed
EP-4237493-B1 POLYMERIC DISINFECTANTS AND USES THEREOF TECHNION RES & DEV FOUNDATION (IL) 2025-12-10 EP disclosed
US-20230399423-A1 POLYMERIC DISINFECTANTS AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-12-14 US disclosed
EP-4237493-A1 POLYMERIC DISINFECTANTS AND USES THEREOF Technion Research & Development Foundation Ltd. (IL) 2023-09-06 EP disclosed
WO-2022091091-A1 POLYMERIC DISINFECTANTS AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2022-05-05 WO disclosed
US-10035752-B2 Multifunctional (meth)acrylate manufacturing method TOAGOSEI CO., LTD. (JP) 2018-07-31 US disclosed
US-20170204044-A1 MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD TOAGOSEI CO., LTD. (JP) 2017-07-20 US disclosed
EP-3133058-A1 MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD Toagosei Co., Ltd. (JP) 2017-02-22 EP disclosed
US-7811397-B2 Gas generating agent DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-10-12 US disclosed
US-20060065338-A1 Gas generating agent DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-30 US disclosed
US-3725557-A ALLOXANTIN COMPOUNDS AS ANTIBACTERIAL AND ANTIFUNGAL AGENTS GATES RUBBER CO 1973-04-03 US 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 (4 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-10035752-B2 Multifunctional (meth)acrylate manufacturing method MMAB, AMD1, ADH5 MMP8 4199/4885LMNA 4637/4885MAPT 3989/4885
US-12552882-B2 Polymeric disinfectants and uses thereof PIK3C3, POLR1C, CUTA MMP8 1048/4885LMNA 1831/4885MAPT 4851/4885
US-20170204044-A1 MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD MMAB, AMD1, ADH5 MMP8 4199/4885LMNA 4637/4885MAPT 3989/4885
US-20230399423-A1 POLYMERIC DISINFECTANTS AND USES THEREOF CUTA, PRKDC, PIK3C3 MMP8 1454/4885LMNA 4582/4885MAPT 4658/4885

“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.