SCHEMBL5523809

SCHEMBL5523809

O=Cc1ccc(Br)c(COCCF)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
APP P05067 3/20 0.39
ALDH1A3 P47895 2/20 0.36
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH3A1 P30838 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FDPS P14324 1/20 0.34
CYP2A6 P11509 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL535880 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL4764351 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL15564992 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTRAB9AAPP
SCHEMBL17157479 0.72 ALDH1A3 (0.53) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL5534795 0.72 APP (0.35) APPMEN1KMT2A
SCHEMBL10457912 0.71 IDO1 (0.53) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL4769958 0.71 ALDH1A3 (0.43) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL16681572 0.70 ALDH1A3 (0.40) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL27933546 0.69 ALDH1A3 (0.42) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL31338904 0.68 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1MAPTHTT

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 ALDH1A1 1854/4885SMN1; SMN2 3448/4885NPC1 3810/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885SMN1; SMN2 3448/4885NPC1 3810/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885SMN1; SMN2 3448/4885NPC1 3810/4885

“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.