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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL575165 | 0.94 | KDM4E (0.35) | KDM4E | |
| Water SCHEMBL11593563 | 0.89 | KDM4E (0.33) | KDM4E | |
| Bromide SCHEMBL29876176 | 0.89 | KDM4E (0.33) | KDM4E | |
| SCHEMBL8504637 | 0.70 | KDM4E (0.33) | KDM4E | |
| Iodide SCHEMBL597934 | 0.70 | — | — | |
| SCHEMBL12757222 | 0.70 | KDM4E (0.33) | KDM4E | |
| Ammonia Solution, Strong SCHEMBL30479255 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL23797807 | 0.67 | KDM4E (0.32) | KDM4E | |
| Bromide SCHEMBL19639198 | 0.67 | TP53 (0.36) | KDM4E | |
| SCHEMBL6849838 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6890937-B2 | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | PHARMACIA CORPORATION (US) | 2005-05-10 | — | — | US | disclosed |
| US-20040235818-A1 | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | PHARMACIA CORPORATION | 2004-11-25 | — | — | US | disclosed |
| US-6750233-B2 | SELECTIVITY | PHARMACIA CORPORATION | 2004-06-15 | — | — | US | disclosed |
| US-20040048852-A1 | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | PHARMACIA CORPORATION | 2004-03-11 | — | — | US | disclosed |
| US-6541489-B1 | Excellent inhibitory activity of one or more matrix metalloprotease (MMP) enzymes, such as MMP-2, MMP-9, and MMP-13, while exhibiting substantially less inhibition at least of MMP- 1 | G. D. SEARLE & COMPANY | 2003-04-01 | — | — | US | disclosed |
| EP-0939628-B1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 2003-03-05 | — | — | EP | disclosed |
| US-20020177588-A1 | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | PHARMACIA CORPORATION | 2002-11-28 | — | — | US | disclosed |
| US-20010039287-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | PHARMACIA CORPORATION | 2001-11-08 | — | — | US | disclosed |
| US-20010014688-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | BARTA THOMAS E (US) | 2001-08-16 | — | — | US | disclosed |
| US-6013649-A | BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS | MONSANTO COMPANY (US) | 2000-01-11 | — | — | 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 (5 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-20020177588-A1 | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | MMP13, MMP9, MMP10 | KDM4E 461/4885 |
| US-20040235818-A1 | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | MMP9, MMP13, MMP2 | KDM4E 537/4885 |
| US-20010039287-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | MMP13, MMP9, MMP10 | KDM4E 461/4885 |
| US-20040048852-A1 | Aromatic sulfone hydroxamic acid metalloprotease inhibitor | MMP9, MMP1, MMP13 | KDM4E 768/4885 |
| US-20010014688-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | MMP13, MMP9, MMP10 | KDM4E 461/4885 |
“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.