SCHEMBL5525533

SCHEMBL5525533

Cc1onc(N(COC(C)[Si](C)(C)C)S(=O)(=O)c2ccccc2Br)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
EDNRB P24530 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.32
C1R P00736 1/20 0.32
HSD11B1 P28845 1/20 0.32
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
BRD4 O60885 1/20 0.31
PLCG1 P19174 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 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
SCHEMBL6694770 0.85 EDNRA (0.40) EDNRAALDH1A1GAATDP1EDNRB
SCHEMBL29799735 0.85 EDNRA (0.40) EDNRAALDH1A1GAATDP1EDNRB
SCHEMBL6640127 0.81 EDNRA (0.37) EDNRAALDH1A1GAATDP1EDNRB
SCHEMBL4774362 0.81 TDP1 (0.37) EDNRATDP1EDNRBL3MBTL1KMT2A
SCHEMBL30171015 0.81 EDNRA (0.37) EDNRAALDH1A1GAATDP1EDNRB
SCHEMBL5525532 0.81 EDNRA (0.37) EDNRAALDH1A1GAATDP1EDNRB
SCHEMBL5524244 0.81 EDNRB (0.35) EDNRAEDNRBBRD4TP53
SCHEMBL25289959 0.75 EDNRA (0.39) EDNRATDP1EDNRBL3MBTL1KMT2A
SCHEMBL26688761 0.72 EDNRA (0.40) EDNRAALDH1A1GAATDP1EDNRB
SCHEMBL30296075 0.72 EDNRA (0.37) EDNRAALDH1A1GAATDP1EDNRB

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
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 3/4885ALDH1A1 1854/4885GAA 1248/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885ALDH1A1 1854/4885GAA 1248/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885ALDH1A1 1854/4885GAA 1248/4885

“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.