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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23793924 | 0.97 | CA1 (0.43) | CA1CA2CA9SLC22A6 | |
| SCHEMBL272977 | 0.97 | CA1 (0.43) | CA1CA2CA9SLC22A6 | |
| SCHEMBL20582199 | 0.95 | — | — | |
| SCHEMBL151184 | 0.95 | — | — | |
| SCHEMBL27498737 | 0.92 | CA1 (0.43) | CA1CA2CA9SLC22A6 | |
| Hydrogen Sulfide SCHEMBL28099567 | 0.92 | CA1 (0.43) | CA1CA2CA9SLC22A6 | |
| Ammonia Solution, Strong SCHEMBL27517712 | 0.92 | CA1 (0.43) | CA1CA2CA9SLC22A6 | |
| SCHEMBL29761917 | 0.92 | CA1 (0.43) | CA1CA2CA9SLC22A6 | |
| SCHEMBL28040116 | 0.92 | CA1 (0.43) | CA1CA2CA9SLC22A6 | |
| Ether SCHEMBL9859454 | 0.81 | CA1 (0.34) | CA1CA2CA9SLC22A6 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12528775-B2 | Oxygenated and amino- or ammonium-containing phosphonic acid derivatives and their medical use | GRI BIO, INC. (US) | 2026-01-20 | — | — | US | disclosed |
| EP-3597634-B1 | OXYGENATED AMMONIUM-CONTAINING SULFONIC ACIDS AND THEIR MEDICAL USE | GRI BIO INC (US) | 2025-02-26 | — | — | EP | disclosed |
| US-20230265052-A1 | OXYGENATED AND AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | ALTIUM GROWTH FUND, LP | 2023-08-24 | — | — | US | disclosed |
| US-11453642-B2 | Oxygenated amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use | GRI BIO, INC. (US) | 2022-09-27 | — | — | US | disclosed |
| US-20210114979-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | ALTIUM GROWTH FUND, LP | 2021-04-22 | — | — | US | disclosed |
| US-10815195-B2 | Oxygenated amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use | GRI BIO, INC. (US) | 2020-10-27 | — | — | US | disclosed |
| EP-2809648-B1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID DERIVATIVES AND THEIR MEDICAL USE | GRI BIO INC (US) | 2019-04-03 | — | — | EP | disclosed |
| US-20170369430-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | ALTIUM GROWTH FUND, LP | 2017-12-28 | — | — | US | disclosed |
| US-9751834-B2 | Oxygenated amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use | GRI BIO, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20150284320-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | GLYCOREGIMMUNE, INC. (US) | 2015-10-08 | — | — | US | disclosed |
| EP-2809648-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | Jado Technologies GmbH (DE) | 2014-12-10 | — | — | EP | disclosed |
| WO-2012160186-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | JADO TECHNOLOGIES GMBH (DE) | 2012-11-29 | — | — | WO | disclosed |
| EP-1109779-B8 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS INC (US) | 2009-05-27 | — | — | EP | disclosed |
| EP-1109779-B1 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1109779-A4 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS INC (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1109779-A1 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2001-06-27 | — | — | EP | disclosed |
| US-6160167-A | Mercaptans and disulfides | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2000-12-12 | — | — | US | disclosed |
| WO-2000012469-A1 | NOVEL MERCAPTANS AND DISULFIDES | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2000-03-09 | — | — | 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 (7 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11453642-B2 | Oxygenated amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use | AADAT, ASS1, IL4I1 | CA1 46/4885CA2 29/4885CA9 52/4885 |
| US-12528775-B2 | Oxygenated and amino- or ammonium-containing phosphonic acid derivatives and their medical use | OXGR1, OXER1, MALT1 | CA1 98/4885CA2 20/4885CA9 152/4885 |
| US-20210114979-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | AADAT, ASS1, IL4I1 | CA1 46/4885CA2 29/4885CA9 52/4885 |
| US-20230265052-A1 | OXYGENATED AND AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | ASS1, AADAT, ASPH | CA1 46/4885CA2 24/4885CA9 43/4885 |
| US-20170369430-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | AADAT, ASS1, ALAD | CA1 113/4885CA2 89/4885CA9 95/4885 |
| US-20150284320-A1 | OXYGENATED AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE | AADAT, ASS1, IL4I1 | CA1 44/4885CA2 28/4885CA9 52/4885 |
| US-10815195-B2 | Oxygenated amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use | ASS1, AADAT, ASPH | CA1 48/4885CA2 20/4885CA9 55/4885 |
“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.