SCHEMBL4068802

SCHEMBL4068802

COc1ccccc1Oc1c(OCCO)nc(N2CCOCC2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 7/20 0.50
EDNRB P24530 12/20 0.49
EDNRA P25101 12/20 0.49

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
SCHEMBL7841637 0.91 EDNRB (0.54) EDNRBEDNRA
SCHEMBL4068803 0.89 DHPS (0.61) DHPSEDNRBEDNRA
SCHEMBL5653603 0.88 EDNRB (0.65) EDNRBEDNRA
SCHEMBL4062179 0.86 EDNRA (0.48) DHPSEDNRBEDNRA
SCHEMBL5764886 0.86 EDNRB (0.53) EDNRBEDNRA
SCHEMBL6586303 0.83 HTT (0.43) DHPSEDNRBEDNRA
SCHEMBL4060592 0.79 EDNRA (0.63) EDNRBEDNRA
SCHEMBL14380726 0.78 EDNRA (0.79) EDNRBEDNRA
SCHEMBL8326904 0.77 EDNRA (0.48) EDNRBEDNRA
SCHEMBL7852433 0.77 EDNRB (0.82) EDNRBEDNRA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
EP-1693372-A1 Novel Sulfamides and their use as endothelin receptor antagonists Actelion Pharmaceuticals Ltd. (CH) 2006-08-23 EP disclosed
US-7094781-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-22 US disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20060178365-A1 Optionally oxidized 6-(2-(5-methylthio-2-pyrimidinyloxy)ethoxy)-2-phenylpyrimidin-4-yl-substituted sulfamides BOLLI MARTIN 2006-08-10 US disclosed
EP-1345920-B1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-12 EP disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 US disclosed
EP-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed
EP-0743943-B1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-10-31 EP disclosed
WO-1995021838-A1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-08-17 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 (3 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-20060178365-A1 Optionally oxidized 6-(2-(5-methylthio-2-pyrimidinyloxy)ethoxy)-2-phenylpyrimidin-4-yl-substituted sulfamides EDNRA, EDNRB, ECE2 DHPS 273/4885EDNRB 2/4885EDNRA 1/4885
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 DHPS 1235/4885EDNRB 2/4885EDNRA 1/4885
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 1711/4885EDNRB 2/4885EDNRA 1/4885

“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.