Domitroban

Domitroban

SCHEMBL124474

O.O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1.[CaH2]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Domitroban. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.96
PTGDR Q13258 18/20 0.85
PTGIR P43119 3/20 0.85
TBXAS1 P24557 1/20 0.80

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.

Compoundsimilaritytop predictedshared targets
Domitroban SCHEMBL710021 1.00 TBXA2R (0.96) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL7600957 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL7600952 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL27571942 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL8539382 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL98346 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL7600963 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL98345 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL8539385 0.99 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL2232264 0.98 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1

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 246 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436997-B1 Endogenous nitric oxide synthesis under conditions of low oxygen tension NITROMED, INC. 2002-08-20 US claimed
US-12629379-B2 Pharmaceutical composition for preventing, suppressing, or treating symptom associated with allergic reaction NIPPON CHEMIPHAR CO., LTD. (JP) 2026-05-19 US disclosed
US-20260000678-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, SUPPRESSING, OR TREATING SYMPTOM ASSOCIATED WITH PSEUDO-ALLERGIC REACTION TAKASAKI UNIV OF HEALTH AND WELFARE (JP) 2026-01-01 US disclosed
US-20250197401-A1 PURINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-19 US disclosed
US-12233071-B2 Medicament for treating cough NIPPON CHEMIPHAR CO., LTD. (JP) 2025-02-25 US disclosed
EP-4501357-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR SUPPRESSING OR TREATING SYMPTOMS ACCOMPANYING PSEUDO-ALLERGIC REACTIONS Takasaki University of Health and Welfare (JP) 2025-02-05 EP disclosed
US-20240317751-A1 PURINONE DERIVATIVE HYDROCHLORIDE ONO PHARMACEUTICAL CO., LTD. (JP) 2024-09-26 US disclosed
US-20240083899-A1 PURINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2024-03-14 US disclosed
US-11897885-B2 Purinone derivative hydrochloride ONO PHARMACEUTICAL CO., LTD. (JP) 2024-02-13 US disclosed
WO-2023190826-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR SUPPRESSING OR TREATING SYMPTOMS ACCOMPANYING PSEUDO-ALLERGIC REACTIONS 学校法人 高崎健康福祉大学 2023-10-05 WO disclosed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 EP disclosed
US-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PAHRMACEUTICAL CO., LTD. (JP) 2004-12-02 US disclosed
EP-1481969-A1 PIPERIDINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-01 EP disclosed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
EP-1424325-A1 INDOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
EP-1415983-A1 5-AMIDINO-N-(2-AMINOPHENETHYL)-HYDROXYBENZENESULFONAMIDE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-05-06 EP disclosed
US-6436997-B1 Endogenous nitric oxide synthesis under conditions of low oxygen tension NITROMED, INC. 2002-08-20 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 (9 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-12233071-B2 Medicament for treating cough P2RX4, P2RX3, P2RX5 TBXA2R 172/4885PTGDR 659/4885PTGIR 404/4885
US-20050004097-A1 Indole derivatives IDO1, IDO2, PTGIR TBXA2R 30/4885PTGDR 6/4885PTGIR 3/4885
US-20240317751-A1 PURINONE DERIVATIVE HYDROCHLORIDE BTK, P2RY1, P2RY13 TBXA2R 1199/4885PTGDR 1041/4885PTGIR 719/4885
US-11897885-B2 Purinone derivative hydrochloride BTK, P2RY1, P2RY13 TBXA2R 1199/4885PTGDR 1041/4885PTGIR 719/4885
US-12629379-B2 Pharmaceutical composition for preventing, suppressing, or treating symptom associated with allergic reaction HRH2, HRH4, HRH1 TBXA2R 37/4885PTGDR 239/4885PTGIR 175/4885
US-20260000678-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, SUPPRESSING, OR TREATING SYMPTOM ASSOCIATED WITH PSEUDO-ALLERGIC REACTION TRPV1, TRPV4, TRPV5 TBXA2R 337/4885PTGDR 232/4885PTGIR 84/4885
US-20250197401-A1 PURINONE DERIVATIVE BTK, KIT, SYK TBXA2R 1494/4885PTGDR 788/4885PTGIR 1424/4885
US-20240083899-A1 PURINONE DERIVATIVE BTK, KIT, SYK TBXA2R 1494/4885PTGDR 788/4885PTGIR 1424/4885
US-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor F11, F2, F7 TBXA2R 66/4885PTGDR 827/4885PTGIR 441/4885

“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.