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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL29956357 | 1.00 | NAPRT (0.44) | NAPRTENPP2KDM4EMPIL3MBTL1 | |
| Water SCHEMBL29957279 | 1.00 | NAPRT (0.44) | NAPRTENPP2KDM4EMPIL3MBTL1 | |
| SCHEMBL28165 | 0.98 | NAPRT (0.45) | NAPRTENPP2KDM4EMPIL3MBTL1 | |
| SCHEMBL1668650 | 0.81 | NAPRT (0.34) | NAPRT | |
| SCHEMBL4537667 | 0.80 | NAPRT (0.39) | NAPRTENPP2KDM4ECYP11B2 | |
| SCHEMBL24092914 | 0.80 | NAPRT (0.41) | NAPRTKDM4EMPIL3MBTL1CYP11B2 | |
| SCHEMBL31016772 | 0.77 | ENPP2 (0.33) | ENPP2LIPE | |
| SCHEMBL24445021 | 0.76 | NAPRT (0.43) | NAPRTKDM4EMPIL3MBTL1KMT2A | |
| SCHEMBL19261750 | 0.76 | NAPRT (0.36) | NAPRTKDM4EL3MBTL1KMT2ALIPE | |
| SCHEMBL12633440 | 0.75 | NAPRT (0.37) | NAPRT |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12617786-B2 | Dihydro-cyclopenta-isoquinoline sulfonamides derivatives | UCB Biopharma SRL (BE) | 2026-05-05 | — | — | US | disclosed |
| EP-4081295-B1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES | UCB Biopharma SRL (BE) | 2026-04-29 | — | — | EP | disclosed |
| US-20240092773-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES | UCB Biopharma SRL (BE) | 2024-03-21 | — | — | US | disclosed |
| EP-4081295-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES | UCB Biopharma SRL (BE) | 2022-11-02 | — | — | EP | disclosed |
| CN-114980975-A | Dihydrocyclopentaisoquinoline sulfonamide derivatives | UCB生物制药有限责任公司 | 2022-08-30 | — | — | CN | disclosed |
| WO-2021130257-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES | UCB Biopharma SRL (BE) | 2021-07-01 | — | — | WO | disclosed |
| US-10364240-B2 | Aryl sulfonamides | ChemoCentryx. Inc. (US) | 2019-07-30 | — | — | US | disclosed |
| EP-2834243-B1 | PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS INC (US) | 2018-04-25 | — | — | EP | disclosed |
| US-9890148-B2 | Aryl sulfonamides | CHEMOCENTRYX, INC. (US) | 2018-02-13 | — | — | US | disclosed |
| US-20170369483-A1 | ARYL SULFONAMIDES | CHEMOCENTRYX, INC. (US) | 2017-12-28 | — | — | US | disclosed |
| US-8946415-B2 | Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use | LEXICON PHARMACEUTICALS, INC. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20130267492-A1 | ARYL SULFONAMIDES | CHEMOCENTRYX, INC. (US) | 2013-10-10 | — | — | US | disclosed |
| US-20130253194-A1 | PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2013-09-26 | — | — | US | disclosed |
| WO-2013134228-A1 | PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. (US) | 2013-09-12 | — | — | WO | disclosed |
| US-20120014997-A1 | ARYL SULFONAMIDES | UNGASHE SOLOMON (US) | 2012-01-19 | — | — | US | disclosed |
| US-20090163498-A1 | Aryl Sulfonamides | CHEMOCENTRYX, INC. (US) | 2009-06-25 | — | — | US | disclosed |
| US-7420055-B2 | Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide | CHEMOCENTRYX, INC. (US) | 2008-09-02 | — | — | US | disclosed |
| US-20060111351-A1 | Aryl sulfonamides | CHEMOCENTRYX, INC. | 2006-05-25 | — | — | US | disclosed |
| WO-2005112925-A1 | ARYL SULFONAMIDES | CHEMOCENTRYX (US) | 2005-12-01 | — | — | WO | disclosed |
| US-20050137193-A1 | Aryl sulfonamides | CHEMOCENTREYX | 2005-06-23 | — | — | 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 (10 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-20050137193-A1 | Aryl sulfonamides | CCR9, CCR1, CCR2 | NAPRT 791/4885ENPP2 262/4885KDM4E 3023/4885 |
| US-20240092773-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES | FCER2, FCGR2A, FCGR1A | NAPRT 3167/4885ENPP2 89/4885KDM4E 1663/4885 |
| US-12617786-B2 | Dihydro-cyclopenta-isoquinoline sulfonamides derivatives | HRH2, HRH4, HRH1 | NAPRT 3988/4885ENPP2 204/4885KDM4E 3732/4885 |
| US-10364240-B2 | Aryl sulfonamides | CCR9, CCR1, CCR2 | NAPRT 791/4885ENPP2 262/4885KDM4E 3023/4885 |
| US-20120014997-A1 | ARYL SULFONAMIDES | CCR9, CCR1, CCR2 | NAPRT 791/4885ENPP2 262/4885KDM4E 3023/4885 |
| US-20060111351-A1 | Aryl sulfonamides | CCR9, CCR1, CCR2 | NAPRT 791/4885ENPP2 262/4885KDM4E 3023/4885 |
| US-20170369483-A1 | ARYL SULFONAMIDES | CCR9, CCR1, CCR2 | NAPRT 791/4885ENPP2 262/4885KDM4E 3023/4885 |
| US-20130253194-A1 | PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | TPX2, MAP3K1, IRAK1 | NAPRT 1982/4885ENPP2 2211/4885KDM4E 2400/4885 |
| US-20090163498-A1 | Aryl Sulfonamides | CCR9, CCR1, CCR2 | NAPRT 791/4885ENPP2 262/4885KDM4E 3023/4885 |
| US-20130267492-A1 | ARYL SULFONAMIDES | CCR9, CCR1, CCR2 | NAPRT 791/4885ENPP2 262/4885KDM4E 3023/4885 |
“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.