SCHEMBL6540492

SCHEMBL6540492

CCc1cc(OCc2ccc(-c3ccccc3S(=O)(=O)Nc3cc(C)on3)cc2)c2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
EDNRA P25101 2/20 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
SCHEMBL4770795 0.88 AGTR1 (0.51) AGTR1AGTR2EDNRA
SCHEMBL4769386 0.87 EDNRA (0.58) EDNRA
SCHEMBL4771492 0.87 AGTR1 (0.51) AGTR1AGTR2EDNRA
SCHEMBL4764100 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL4764548 0.81 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL4764431 0.81 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL4793147 0.81 EDNRA (0.44) AGTR1AGTR2EDNRA
SCHEMBL4764624 0.81 EDNRA (0.59) EDNRA
SCHEMBL27542919 0.79 AGTR1 (0.46) AGTR1AGTR2EDNRA
SCHEMBL27571317 0.79 EDNRA (0.52) EDNRA

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 3 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-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

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 4/4885AGTR2 2/4885TSHR 238/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA AGTR1 4/4885AGTR2 2/4885TSHR 238/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA AGTR1 4/4885AGTR2 2/4885TSHR 238/4885

“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.