SCHEMBL6789028

SCHEMBL6789028

Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)C)cn3)ncnc2OCC#CCOC(=O)Nc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.60
EDNRB P24530 17/20 0.60

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
SCHEMBL6782478 0.87 EDNRA (0.52) EDNRAEDNRB
SCHEMBL6782838 0.86 EDNRA (0.64) EDNRAEDNRB
SCHEMBL6784392 0.82 EDNRB (0.78) EDNRAEDNRB
SCHEMBL6785209 0.81 EDNRB (0.54) EDNRAEDNRB
SCHEMBL6780354 0.79 EDNRB (0.52) EDNRAEDNRB
SCHEMBL6782780 0.77 EDNRB (0.82) EDNRAEDNRB
SCHEMBL6784331 0.75 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6783442 0.73 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6782234 0.72 EDNRA (0.41) EDNRAEDNRB
SCHEMBL6785744 0.72 EDNRA (0.88) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720322-B2 USE AS ENDOTHELIN RECEPTOR ANTAGONISTS. ACTELION PHARAMCEUTICALS LTD. (CH) 2004-04-13 US disclosed
US-20030087920-A1 Butyne diol derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2003-05-08 US disclosed
EP-1244637-A1 BUTYNE DIOL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2002-10-02 EP disclosed
WO-2001046156-A1 BUTYNE DIOL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-06-28 WO 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-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA EDNRA 3/4885EDNRB 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.