SCHEMBL5531270

SCHEMBL5531270

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(OC)c(OC)cc2S(=O)(=O)Nc2onc(C)c2C)c(COCC)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.69
AGTR1 P30556 4/20 0.69
ACHE P22303 5/20 0.46
AGTR2 P50052 1/20 0.42

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
SCHEMBL5524254 0.93 EDNRA (0.71) EDNRAAGTR1ACHEAGTR2
SCHEMBL5534078 0.92 EDNRA (0.68) EDNRAAGTR1ACHEAGTR2
SCHEMBL5523011 0.91 EDNRA (0.83) EDNRAAGTR1ACHEAGTR2
SCHEMBL29706567 0.91 EDNRA (0.81) EDNRAAGTR1AGTR2
SCHEMBL4773488 0.91 EDNRA (0.81) EDNRAAGTR1AGTR2
SCHEMBL5536056 0.88 EDNRA (0.78) EDNRAAGTR1ACHEAGTR2
SCHEMBL4767402 0.86 EDNRA (0.78) EDNRAAGTR1AGTR2
SCHEMBL4769864 0.86 EDNRA (0.79) EDNRAAGTR1AGTR2
SCHEMBL6539678 0.85 EDNRA (0.78) EDNRAAGTR1AGTR2
SCHEMBL4774295 0.84 EDNRA (0.75) EDNRAAGTR1AGTR2

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 6 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-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP claimed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO claimed

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 3/4885AGTR1 4/4885ACHE 1584/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885AGTR1 4/4885ACHE 1584/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA EDNRA 3/4885AGTR1 4/4885ACHE 1584/4885

“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.