SCHEMBL6700336

SCHEMBL6700336

COCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.48
EDNRB P24530 18/20 0.48

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
SCHEMBL6641177 0.93 EDNRA (0.46) EDNRAEDNRB
SCHEMBL8684591 0.82 EDNRA (0.35) EDNRAEDNRB
SCHEMBL6646134 0.81 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6638557 0.81 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6643655 0.81 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6696366 0.77 EDNRA (0.66) EDNRAEDNRB
SCHEMBL29281002 0.76 TSHR (0.34) EDNRA
SCHEMBL30296047 0.76 EDNRB (0.42) EDNRAEDNRB
SCHEMBL6641912 0.75 EDNRA (0.51) EDNRAEDNRB
SCHEMBL6641914 0.75 EDNRA (0.51) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040059123-A1 Such as N-(methoxymethyl)-N-(4,5-dimethyl-3-isoxazolyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzenesulfanamide; endothelin antagonists for treatment of hypertension; high melting POLNIASZEK RICHARD P (US) 2004-03-25 US claimed
US-20020132838-A1 Methods for the preparation of biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY 2002-09-19 US claimed
US-20040059123-A1 Such as N-(methoxymethyl)-N-(4,5-dimethyl-3-isoxazolyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzenesulfanamide; endothelin antagonists for treatment of hypertension; high melting POLNIASZEK RICHARD P (US) 2004-03-25 US disclosed
US-6639082-B2 Cycloboronate intermediates; endothelin antagonists useful, inter alia, for the treatment of hypertension. BRISTOL-MYERS SQUIBB COMPANY 2003-10-28 US disclosed
US-20020132838-A1 Methods for the preparation of biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY 2002-09-19 US 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-20020132838-A1 Methods for the preparation of biphenyl isoxazole sulfonamides REN, STS, CYP4X1 EDNRA 11/4885EDNRB 12/4885
US-20040059123-A1 Such as N-(methoxymethyl)-N-(4,5-dimethyl-3-isoxazolyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzenesulfanamide; endothelin antagonists for treatment of hypertension; high melting EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885

“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.