SCHEMBL6320114

SCHEMBL6320114

O=S(=O)(Nc1ccc2nsnc2c1)c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.56
▸ PTPN5 P54829 7/20 0.51
▸ PTPN11 Q06124 2/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ ACLY P53396 1/20 0.48
▸ PTPN1 P18031 7/20 0.46
▸ PTPN2 P17706 5/20 0.46
▸ HSPD1 P10809 3/20 0.46
▸ HSPE1 P61604 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ FBP1 P09467 1/20 0.45
▸ EDNRB P24530 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL8541050 0.80 PIK3CD (0.57) EDNRAPTPN5PTPN11PTPN1PTPN2
SCHEMBL8350452 0.76 EDNRA (0.54) EDNRAPTPN5PTPN11DUSP3CASP6
SCHEMBL8317574 0.74 PIK3CD (0.54) EDNRAPTPN5PTPN11PTPN1PTPN2
SCHEMBL6403182 0.73 EDNRA (0.71) EDNRAPTPN5PTPN11DUSP3CASP6
SCHEMBL12336164 0.73 EDNRA (0.51) EDNRAACLYALDH1A1FBP1EDNRB
SCHEMBL12335463 0.73 KEAP1 (0.60) EDNRAHTTALDH1A1MAPTEDNRB
SCHEMBL6314173 0.72 ALDH1A1 (0.54) EDNRAHTTALDH1A1MAPTFBP1
SCHEMBL7046426 0.72 MEN1 (0.61) EDNRAPTPN5PTPN11DUSP3CASP6
SCHEMBL6313638 0.72 EDNRA (1.00) EDNRATSHR
SCHEMBL4201921 0.71 EDNRA (0.98) EDNRATSHR

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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 — — US claimed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 — — EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 — — WO claimed
EP-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 — — EP claimed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 — — EP claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 — — US disclosed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 — — EP disclosed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 — — 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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 EDNRA 1/4885PTPN5 3882/4885PTPN11 2984/4885

“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.

Send feedback