SCHEMBL5631560

SCHEMBL5631560

COc1ccccc1Oc1c(OCCO)nc(S(C)(=O)=O)nc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.55
EDNRA P25101 5/20 0.55
EDNRB P24530 3/20 0.55

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
SCHEMBL5631567 0.89 DHPS (0.67) DHPSEDNRAEDNRB
SCHEMBL5633773 0.81 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL4061140 0.81 EDNRA (0.67) DHPSEDNRAEDNRB
SCHEMBL4066782 0.80 DHPS (0.66) DHPSEDNRAEDNRB
SCHEMBL7851591 0.79 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL6584269 0.77 DHPS (0.62) DHPSEDNRAEDNRB
SCHEMBL7853937 0.77 DHPS (0.57) DHPSEDNRAEDNRB
SCHEMBL14380724 0.77 EDNRA (0.62) DHPSEDNRAEDNRB
SCHEMBL4060942 0.76 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL4068802 0.76 DHPS (0.50) DHPSEDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 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 (2 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 273/4885EDNRA 1/4885EDNRB 2/4885
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 1711/4885EDNRA 1/4885EDNRB 2/4885

“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.