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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.48 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.45 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 SCHEMBL8176347 | 0.98 | TDP1 (0.50) | TDP1LMNAKMT2AMEN1THRB | |
| SCHEMBL2986619 | 0.98 | TDP1 (0.50) | TDP1LMNAKMT2AMEN1THRB | |
| SCHEMBL549939 | 0.98 | TDP1 (0.50) | TDP1LMNAKMT2AMEN1THRB | |
| SCHEMBL40458 | 0.96 | TDP1 (0.52) | TDP1LMNAKMT2AMEN1THRB | |
| SCHEMBL29563815 | 0.96 | TDP1 (0.52) | TDP1LMNAKMT2AMEN1THRB | |
| SCHEMBL1302666 | 0.94 | TDP1 (0.50) | TDP1LMNAKMT2AMEN1THRB | |
| SCHEMBL30293806 | 0.94 | TDP1 (0.50) | TDP1LMNAKMT2AMEN1THRB | |
| Sulfurous Acid SCHEMBL8747984 | 0.88 | TDP1 (0.44) | TDP1LMNAKMT2AMEN1THRB | |
| SCHEMBL29100635 | 0.88 | TDP1 (0.44) | TDP1LMNAKMT2AMEN1THRB | |
| Phenol SCHEMBL2331803 | 0.86 | TRIM24 (0.45) | TDP1LMNAKMT2AMEN1THRB |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2292593-A2 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | TopoTarget UK Limited (GB) | 2011-03-09 | — | — | EP | disclosed |
| US-7557140-B2 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | TOPOTARGET UK LIMITED (GB) | 2009-07-07 | — | — | US | disclosed |
| US-7407988-B2 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | TOPOTARGET UK LIMITED (GB) | 2008-08-05 | — | — | US | disclosed |
| US-20080161401-A1 | CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS | TOPOTARGET UK LIMITED (GB) | 2008-07-03 | — | — | US | disclosed |
| US-7183298-B2 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | TOPOTARGET UK LIMITED (GB) | 2007-02-27 | — | — | US | disclosed |
| US-20070004806-A1 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | TOPOTARGET UK LIMITED (GB) | 2007-01-04 | — | — | US | disclosed |
| US-20050107445-A1 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | PROLIFIX LIMITED (GB) | 2005-05-19 | — | — | US | disclosed |
| US-6888027-B2 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | TOPOTARGET UK LIMITED (GB) | 2005-05-03 | — | — | US | disclosed |
| US-20050085515-A1 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | TOPO TARGET UK LIMITED, (GB) | 2005-04-21 | — | — | US | disclosed |
| US-20040077726-A1 | Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors | SWK FUNDING LLC | 2004-04-22 | — | — | US | disclosed |
| EP-1328510-A2 | CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS | PROLIFIX LTD. (GB) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002030879-A2 | CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS | PROLIFIX LIMITED (GB) | 2002-04-18 | — | — | 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 (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-20050107445-A1 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | HDAC1, HDAC11, HDAC3 | MEN1 4252/4885THRB 2109/4885TDP1 3703/4885 |
| US-20070004806-A1 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | HDAC1, HDAC11, HDAC3 | MEN1 4252/4885THRB 2109/4885TDP1 3703/4885 |
| US-20080161401-A1 | CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS | HDAC1, HDAC11, HDAC3 | MEN1 4252/4885THRB 2109/4885TDP1 3703/4885 |
| US-20040077726-A1 | Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors | HDAC1, HDAC11, HDAC2 | MEN1 4277/4885THRB 2125/4885TDP1 3738/4885 |
| US-20050085515-A1 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | HDAC1, HDAC11, HDAC3 | MEN1 4252/4885THRB 2109/4885TDP1 3703/4885 |
“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.