SCHEMBL4774362

SCHEMBL4774362

Cc1cc(N(COC(C)[Si](C)(C)C)S(=O)(=O)c2ccccc2Br)on1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
EDNRA P25101 2/20 0.34
EDNRB P24530 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
BRD4 O60885 1/20 0.33
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
C1R P00736 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4772852 0.81 TDP1 (0.35) TDP1EDNRAEDNRBL3MBTL1KMT2A
SCHEMBL4774359 0.81 EDNRA (0.34) TDP1EDNRAEDNRBL3MBTL1KMT2A
SCHEMBL5525533 0.81 EDNRA (0.37) TDP1EDNRAEDNRBL3MBTL1KMT2A
SCHEMBL6540183 0.81 MAPT (0.35) EDNRAEDNRBMAPTTP53
SCHEMBL4764365 0.75
SCHEMBL7956927 0.69 EDNRA (0.43) TDP1EDNRAEDNRBL3MBTL1KMT2A
SCHEMBL6938054 0.67 MAPT (0.34) EDNRAEDNRBMAPTTP53
SCHEMBL29799735 0.65 EDNRA (0.40) TDP1EDNRAEDNRBL3MBTL1KMT2A
SCHEMBL6694770 0.65 EDNRA (0.40) TDP1EDNRAEDNRBL3MBTL1KMT2A
SCHEMBL4772910 0.64 EDNRA (0.59) EDNRAEDNRBBRD4

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 TDP1 3704/4885EDNRA 3/4885EDNRB 1/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA TDP1 3704/4885EDNRA 3/4885EDNRB 1/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA TDP1 3704/4885EDNRA 3/4885EDNRB 1/4885

“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.