SCHEMBL5534795

SCHEMBL5534795

N#Cc1ccc(Br)c(COCCF)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.35
PDE5A O76074 2/20 0.34
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
KMT2A Q03164 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
GSK3B P49841 1/20 0.30
PTPN1 P18031 2/20 0.30
PTPN2 P17706 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL534995 0.82 ALDH1A1 (0.41) MEN1TTRALBKMT2A
SCHEMBL500818 0.78 SLC6A4 (0.34) MEN1TTRALBKMT2A
SCHEMBL20607875 0.78 KDM4E (0.35) MEN1TTRALBKMT2A
SCHEMBL1715050 0.77 IDO1 (0.48) MEN1TTRALBKMT2ALOXL2
SCHEMBL4774237 0.77 ALDH1A1 (0.37) MEN1TTRALBKMT2A
SCHEMBL27528549 0.74 LOXL2 (0.47) MEN1TTRALBKMT2ALOXL2
SCHEMBL23014982 0.73 LOXL2 (0.50) APPLOXL2
SCHEMBL1232330 0.72 MEN1 (0.39) MEN1TTRALBKMT2ALOXL2
SCHEMBL5523809 0.72 ALDH1A1 (0.41) APPMEN1KMT2A
SCHEMBL20482939 0.71 MEN1 (0.39) MEN1TTRALBKMT2AGSK3B

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 APP 2607/4885PDE5A 2369/4885MEN1 3697/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA APP 2607/4885PDE5A 2369/4885MEN1 3697/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA APP 2607/4885PDE5A 2369/4885MEN1 3697/4885

“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.