SCHEMBL6764847

SCHEMBL6764847

Cc1ccc(S(=O)(=O)Nc2ccc3nsnc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.68
▸ PIK3CA P42336 1/20 0.68
▸ PIK3CB P42338 1/20 0.68
▸ PIK3CG P48736 1/20 0.68
▸ LMNA P02545 5/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ ALDH1A1 P00352 9/20 0.59
▸ MAPT P10636 5/20 0.59
▸ USP2 O75604 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ RAD51 Q06609 1/20 0.56
▸ PTPN2 P17706 3/20 0.55
▸ PTPN1 P18031 3/20 0.55
▸ PTPN5 P54829 3/20 0.55
▸ HSPD1 P10809 2/20 0.55
▸ HSPE1 P61604 2/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ CDC7 O00311 1/20 0.53

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
SCHEMBL6760774 0.85 CDC7 (0.64) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL8541050 0.85 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL8315471 0.85 ALDH1A1 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL8315991 0.85 PTPN1 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL1792641 0.82 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL6762244 0.82 TXNRD1 (0.59) PIK3CDPIK3CAPIK3CBPIK3CGHTT
SCHEMBL8317574 0.81 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL8317641 0.80 EDNRA (0.52) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL8313728 0.79 MEN1 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL5704502 0.79 ALDH1A1 (0.64) LMNASMN1; SMN2HTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 — — US claimed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 — — EP claimed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 — — 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
JP-8269027-A — — None — — JP disclosed
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 — — US disclosed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 — — EP disclosed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 — — WO disclosed
EP-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 — — EP disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 — — US disclosed
JP-H08269027-A ENDOTHELIN RECEPTOR ANTAGONIST MERCK PATENT GMBH 1996-10-15 — — JP disclosed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 — — 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 (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-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR PIK3CD 1405/4885PIK3CA 565/4885PIK3CB 2343/4885

“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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