Domitroban

Domitroban

SCHEMBL98345

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 0.98

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.98
PTGDR Q13258 18/20 0.86
PTGIR P43119 3/20 0.86
TBXAS1 P24557 1/20 0.81

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 SCHEMBL98346 1.00 TBXA2R (0.98) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL710021 0.99 TBXA2R (0.96) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL124474 0.99 TBXA2R (0.96) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL2232264 0.99 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL9198684 0.99 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL9875564 0.99 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL361563 0.99 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL2923394 0.99 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL2232269 0.99 TBXA2R (1.00) TBXA2RPTGDRPTGIRTBXAS1
Domitroban SCHEMBL13658118 0.99 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11512085-B2 Heteroaryl compound having drug activity SHANGHAI DUDE MEDICAL TECHNOLOGY CO., LTD (CN) 2022-11-29 US disclosed
EP-3643716-A1 HETEROARYL COMPOUND HAVING PHARMACEUTICAL ACTIVITY Shanghai Dude Medical Technology Co., Ltd (CN) 2020-04-29 EP disclosed
US-20200123156-A1 HETEROARYL COMPOUND HAVING DRUG ACTIVITY SHANGHAI DUDE MEDICAL TECHNOLOGY CO., LTD 2020-04-23 US disclosed
EP-3112368-B1 PURINONE DERIVATIVE AS BTK KINASE INHIBITOR ONO PHARMACEUTICAL CO (JP) 2020-02-12 EP disclosed
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN disclosed
CN-1845911-B Condensed ring compound and use thereof ONO PHARMACEUTICAL CO 2012-07-04 CN disclosed
CN-102459231-A Quaternary ammonium salt compound TEIJIN PHARMA LTD 2012-05-16 CN disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
CN-1845911-A Condensed ring compound and use thereof ONO PHARMACEUTICAL CO (JP) 2006-10-11 CN disclosed
CN-1578767-A Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO (JP) 2005-02-09 CN 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 (4 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 TBXA2R 61/4885PTGDR 1216/4885PTGIR 987/4885
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 TBXA2R 485/4885PTGDR 123/4885PTGIR 244/4885
US-20200123156-A1 HETEROARYL COMPOUND HAVING DRUG ACTIVITY BTK, LYN, LCK TBXA2R 3372/4885PTGDR 4017/4885PTGIR 3958/4885
US-11512085-B2 Heteroaryl compound having drug activity BTK, LYN, LCK TBXA2R 3372/4885PTGDR 4017/4885PTGIR 3958/4885

“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.