SCHEMBL5525532

SCHEMBL5525532

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.37
EDNRB P24530 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 3/20 0.33
C1R P00736 1/20 0.32
P2RX7 Q99572 1/20 0.32
BRD4 O60885 1/20 0.31
MEN1 O00255 2/20 0.31
PLCG1 P19174 1/20 0.31
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30296138 0.90 EDNRA (0.35) EDNRAEDNRBL3MBTL1GAAALDH1A1
SCHEMBL25084321 0.90 EDNRA (0.35) EDNRAEDNRBL3MBTL1GAAALDH1A1
SCHEMBL6640127 0.89 EDNRA (0.37) EDNRAEDNRBL3MBTL1GAAALDH1A1
SCHEMBL30171015 0.89 EDNRA (0.37) EDNRAEDNRBL3MBTL1GAAALDH1A1
SCHEMBL5392355 0.87 EDNRA (0.34) EDNRAEDNRBL3MBTL1TDP1KMT2A
SCHEMBL6694770 0.85 EDNRA (0.40) EDNRAEDNRBL3MBTL1GAAALDH1A1
SCHEMBL29799735 0.85 EDNRA (0.40) EDNRAEDNRBL3MBTL1GAAALDH1A1
SCHEMBL15728332 0.85 GAA (0.32) GAAALDH1A1KMT2AMEN1TSHR
SCHEMBL28576007 0.83 L3MBTL1 (0.34) EDNRAEDNRBL3MBTL1TDP1KMT2A
SCHEMBL5398608 0.82 L3MBTL1 (0.34) EDNRAEDNRBL3MBTL1TDP1KMT2A

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 3/4885EDNRB 1/4885L3MBTL1 4625/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885EDNRB 1/4885L3MBTL1 4625/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885EDNRB 1/4885L3MBTL1 4625/4885

“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.