SCHEMBL4768972

SCHEMBL4768972

COC(=O)c1ccc(-c2ccccc2S(=O)(=O)N(COC(C)[Si](C)(C)C)c2onc(C)c2C)c(CCOC2CCCCO2)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.33
EDNRB P24530 6/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL4791122 0.94 EDNRA (0.34) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL4768962 0.90 EDNRA (0.33) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL5526556 0.89 EDNRA (0.34) EDNRAEDNRBKDM4C
SCHEMBL4792638 0.86 EDNRB (0.35) EDNRAEDNRB
SCHEMBL4793931 0.86 EDNRA (0.33) EDNRAEDNRBKDM4C
SCHEMBL4767038 0.86 EDNRB (0.35) EDNRAEDNRB
SCHEMBL5528417 0.86 EDNRA (0.36) EDNRAEDNRBMAPT
SCHEMBL4764003 0.85 EDNRB (0.36) EDNRAEDNRB
SCHEMBL4772979 0.85 EDNRA (0.33) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL4767327 0.84 EDNRB (0.35) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
EP-1094816-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-12-10 EP disclosed
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
EP-1237888-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
US-6852745-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-08 US disclosed
US-6835741-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-07-01 US disclosed
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-06-03 US disclosed
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 US disclosed
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2002-10-03 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 (3 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-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885EDNRB 1/4885ALDH1A1 1854/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885EDNRB 1/4885ALDH1A1 1854/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885EDNRB 1/4885ALDH1A1 1854/4885

“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.