SCHEMBL5520710

SCHEMBL5520710

CCCC(=O)N(Cc1ccc(-c2ccccc2S(=O)(=O)N(CC2CC2)c2noc(C)c2C)cc1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.45
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.37
ABCB11 O95342 1/20 0.37
GP6 Q9HCN6 1/20 0.37
OXTR P30559 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
EDNRA P25101 3/20 0.33
EDNRB P24530 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
SCHEMBL5525830 0.89 AGTR1 (0.44) AGTR1OPRM1OPRK1LTB4R2ABCB11
SCHEMBL4776095 0.84 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL4769227 0.77 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL5520706 0.76 EDNRA (0.42) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL4775333 0.75 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL5529478 0.74 AGTR1 (0.55) AGTR1OPRM1OPRK1LTB4R2ABCB11
SCHEMBL5525502 0.74 ALDH1A1 (0.33) AGTR1OPRM1OPRK1EDNRAEDNRB
SCHEMBL5525953 0.74 AGTR1 (0.54) AGTR1OPRM1OPRK1LTB4R2ABCB11
SCHEMBL4764949 0.73 EDNRA (0.45) AGTR1LTB4R2ABCB11GP6EDNRA
SCHEMBL4771875 0.73 EDNRA (0.59) AGTR1EDNRAEDNRB

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 9 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 claimed
US-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-07-01 US claimed
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-06-03 US claimed
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2002-10-03 US claimed
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-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

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 AGTR1 4/4885OPRM1 1329/4885OPRK1 586/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA AGTR1 4/4885OPRM1 1329/4885OPRK1 586/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA AGTR1 4/4885OPRM1 1329/4885OPRK1 586/4885

“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.