SCHEMBL5632471

SCHEMBL5632471

COc1ccccc1Oc1c(Cl)nc(C)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.57
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PIN1 Q13526 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7204802 0.89 DHPS (0.57) DHPSMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL7304397 0.86 DHPS (0.62) DHPSMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL7294883 0.84 DHPS (0.50) DHPSMAPT
SCHEMBL7303389 0.83 DHPS (0.81) DHPSALDH1A1HTTMAPTKMT2A
SCHEMBL7330437 0.83 DHPS (0.59) DHPSMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL7297418 0.83 DHPS (0.52) DHPSMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL5631299 0.83 DHPS (0.52) DHPSMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL28584053 0.82 DHPS (0.82) DHPSMAPK1
SCHEMBL29770374 0.82 DHPS (0.58) DHPS
SCHEMBL618135 0.82 DHPS (0.58) 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 22 patents — showing the first 20. 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
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US 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-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
US-6720322-B2 USE AS ENDOTHELIN RECEPTOR ANTAGONISTS. ACTELION PHARAMCEUTICALS LTD. (CH) 2004-04-13 US disclosed
EP-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP disclosed
EP-1244637-A1 BUTYNE DIOL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2002-10-02 EP disclosed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO disclosed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001046156-A1 BUTYNE DIOL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-06-28 WO disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP 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 273/4885MAPK1 4008/4885L3MBTL1 4884/4885
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 1711/4885MAPK1 3446/4885L3MBTL1 4882/4885

“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.