SCHEMBL5633884

SCHEMBL5633884

COc1ccccc1Oc1c(N)nc(SC)nc1Cl

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 19/20 0.64
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5631299 0.90 DHPS (0.52) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5633882 0.82 DHPS (0.46) DHPSHTT
SCHEMBL28573132 0.78 DHPS (1.00) DHPS
SCHEMBL30410967 0.78 DHPS (1.00) DHPS
SCHEMBL31037815 0.77 DHPS (1.00) DHPS
SCHEMBL31037803 0.77 DHPS (0.77) DHPS
SCHEMBL7304397 0.77 DHPS (0.62) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5633779 0.77 DHPS (0.69) DHPS
SCHEMBL4064097 0.77 DHPS (0.74) DHPS
SCHEMBL30412009 0.76 DHPS (1.00) DHPS

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 273/4885ALDH1A1 2787/4885MAPK1 4008/4885
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 1711/4885ALDH1A1 4258/4885MAPK1 3446/4885

“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.

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