SCHEMBL6540406

SCHEMBL6540406

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.77
EDNRA P25101 4/20 0.77
AGTR2 P50052 3/20 0.52
ACHE P22303 5/20 0.47
LTB4R2 Q9NPC1 3/20 0.46
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2B P41595 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC10A1 Q14973 1/20 0.44

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
SCHEMBL6540303 0.96 AGTR1 (0.77) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540973 0.95 AGTR1 (0.75) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540215 0.93 AGTR1 (0.77) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540813 0.91 EDNRA (0.80) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6539684 0.91 EDNRA (0.89) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6540548 0.91 AGTR1 (0.81) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL6539504 0.91 EDNRA (0.81) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL25084341 0.90 AGTR1 (0.81) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL29706543 0.90 EDNRA (0.87) AGTR1EDNRAAGTR2ACHELTB4R2
SCHEMBL30844555 0.90 AGTR1 (0.81) AGTR1EDNRAAGTR2ACHELTB4R2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-07-01 US claimed
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2002-10-03 US claimed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP claimed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP claimed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 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 (2 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 4/4885EDNRA 3/4885AGTR2 2/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA AGTR1 4/4885EDNRA 3/4885AGTR2 2/4885

“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.