SCHEMBL7014513

SCHEMBL7014513

CCOC(OC)N(c1onc(C)c1Cl)S(=O)(=O)c1c(C(O)c2cc3c(cc2CCO)OCO3)sc2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.36
EDNRB P24530 12/20 0.36
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
PDE4A P27815 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL7018948 0.92 EDNRA (0.35) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7026265 0.91 EDNRB (0.33) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7163555 0.91 EDNRB (0.31) EDNRAEDNRB
SCHEMBL7014711 0.89 EDNRA (0.38) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7018171 0.85 EDNRB (0.40) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7021452 0.85 EDNRA (0.42) EDNRAEDNRBTSHR
SCHEMBL7021400 0.84 EDNRA (0.33) EDNRAEDNRB
SCHEMBL7014516 0.84 EDNRA (0.38) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7019244 0.83 EDNRA (0.37) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7016213 0.82 EDNRB (0.33) EDNRAEDNRBABCC3ABCC4ABCB11

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
EP-0898571-B1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2003-11-19 EP disclosed
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-08-16 US disclosed
US-6013655-A HYPOTENSIVE AGENTS; RESPIRATORY SYSTEM DIISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-01-11 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 (1 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-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRB, EDNRA, AGTR1 EDNRA 2/4885EDNRB 1/4885ABCC3 800/4885

“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.