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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 14/20 | 1.00 |
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.70 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.70 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.70 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.70 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.70 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.70 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.70 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.70 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.70 |
| ▸ | MT-CO2 | P00403 | 3/20 | 1.00 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.71 |
| ▸ | CA12 | O43570 | 1/20 | 0.70 |
| ▸ | CA1 | P00915 | 1/20 | 0.70 |
| ▸ | CA2 | P00918 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | CA3 | P07451 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CA4 | P22748 | 1/20 | 0.70 |
| ▸ | CA6 | P23280 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL5481289 | 0.99 | PTGS2 (1.00) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| Dioxane SCHEMBL5472966 | 0.93 | PTGS2 (0.88) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| SCHEMBL5472959 | 0.91 | PTGS2 (0.84) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| SCHEMBL28922237 | 0.89 | PTGS2 (0.82) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| SCHEMBL5073588 | 0.88 | PTGS2 (0.81) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| SCHEMBL5071844 | 0.88 | PTGS2 (0.81) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| Ethyl Acetate SCHEMBL5483783 | 0.88 | PTGS2 (0.79) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| SCHEMBL5071829 | 0.87 | PTGS2 (0.78) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| SCHEMBL5071029 | 0.86 | PTGS2 (0.77) | PTGS2MT-CO2NR4A2PTGS1CA12 | |
| SCHEMBL5069873 | 0.86 | PTGS2 (0.77) | PTGS2MT-CO2NR4A2PTGS1CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1805744-B | New n-hydroxy-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide solvates | RICHTER GEDEON VEGYESZET | 2010-11-03 | — | — | CN | disclosed |
| US-20070093539-A1 | N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 2007-04-26 | — | — | US | disclosed |
| CN-1805744-A | New n-hydroxy-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide solvates | RICHTER GEDEON VEGYESZET (HU) | 2006-07-19 | — | — | CN | disclosed |
| EP-1643992-A2 | NEW N-HYDROXY-4-(3-PHENYL-5-METHYL-ISOXAZOLE-4-YL)-BENZENESULFONAMIDE SOLVATES | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005007620-A2 | NEW N-HYDROXY-4-(3-PHENYL-5-METHYL-ISOXAZOLE-4-YL)-BENZENESULFONAMIDE SOLVATES | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 2005-01-27 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070093539-A1 | N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates | ADH1A, ADH1C, ADH5 | PTGS2 154/4885PTGS1 21/4885ADRB2 2306/4885 |
“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.