SCHEMBL5097931

SCHEMBL5097931

Cc1ccc(-c2c(NS(C)(=O)=O)ncnc2OCCOc2ncc(Br)cn2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.72
EDNRA P25101 8/20 0.72
SLC6A2 P23975 1/20 0.66
TSPO P30536 1/20 0.66
DRD3 P35462 1/20 0.66

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
SCHEMBL5101990 0.94 EDNRA (0.80) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL31266904 0.94 EDNRA (0.80) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5497129 0.91 EDNRB (0.76) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5632235 0.89 EDNRB (0.74) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL8802029 0.88 EDNRB (0.84) EDNRBEDNRA
SCHEMBL5501326 0.88 EDNRB (0.89) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL19569156 0.86 EDNRA (0.89) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL5500351 0.84 EDNRA (0.86) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL795650 0.84 EDNRB (1.00) EDNRBEDNRA
SCHEMBL4068362 0.84 EDNRB (0.75) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US claimed
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP claimed
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-04-21 US claimed
EP-1465875-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-10-13 EP claimed
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 WO claimed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP disclosed
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-04-21 US disclosed
EP-1465875-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-10-13 EP disclosed
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 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 (1 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-20050085639-A1 Novel alkansulfonamides as endothelin antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885SLC6A2 586/4885

“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.