SCHEMBL4774307

SCHEMBL4774307

CCOCC(=O)NC1(C(=O)OC)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 9/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HSD17B10 Q99714 3/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
DGAT1 O75907 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
SCHEMBL13613119 0.82 MAPT (0.50) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL13744167 0.78 MAPT (0.47) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL29186066 0.77 MAPT (0.49) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL11200319 0.77 MAPT (0.40) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL29186053 0.76 MAPT (0.51) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL1115241 0.76 MAPT (0.51) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL27760068 0.75 SPHK1 (0.52) MAPTALDH1A1L3MBTL1KMT2APOLB
SCHEMBL4771533 0.75 MAPT (0.46) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL29186055 0.74 MAPT (0.45) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL12323501 0.74 MAPT (0.45) MAPTALDH1A1L3MBTL1NPSR1CYP4F2

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 MAPT 3726/4885ALDH1A1 1854/4885L3MBTL1 4625/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA MAPT 3726/4885ALDH1A1 1854/4885L3MBTL1 4625/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA MAPT 3726/4885ALDH1A1 1854/4885L3MBTL1 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.