SCHEMBL1002697

SCHEMBL1002697

NS(=O)(=O)CCCOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.52
CA1 P00915 7/20 0.52
CA9 Q16790 6/20 0.52
TSHR P16473 1/20 0.48
CA5A P35218 2/20 0.47
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA12 O43570 2/20 0.44
CA5B Q9Y2D0 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MGLL Q99685 1/20 0.43
LTA4H P09960 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL22071071 0.93 CA2 (0.49) CA2CA1CA9TSHRCA5A
SCHEMBL1621831 0.89 CA2 (0.55) CA2CA1CA9TSHRCA5A
SCHEMBL23461748 0.86 CA2 (0.52) CA2CA1CA9TSHRCA5A
SCHEMBL6859545 0.85 TSHR (0.52) CA2CA1CA9TSHRTDP1
SCHEMBL7195587 0.82 TSHR (0.48) CA2CA1CA9TSHRCA7
SCHEMBL2086018 0.82 TSHR (0.48) CA2CA1CA9TSHRTDP1
SCHEMBL29990163 0.82 TSHR (0.48) CA2CA1CA9TSHRTDP1
SCHEMBL16782126 0.81 TSHR (0.47) CA2CA1CA9TSHRTDP1
SCHEMBL16782117 0.81 TSHR (0.47) CA2CA1CA9TSHRTDP1
SCHEMBL16782118 0.81 TSHR (0.47) CA2CA1CA9TSHRTDP1

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
EP-1833821-B1 SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-03-30 EP disclosed
US-7868012-B2 Sulfamides as endothelin receptor antagonists for the treatment of cardiovascular diseases ACTELION PHARMACEUTICALS, LTD. (CH) 2011-01-11 US disclosed
US-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-03 US disclosed
EP-1833821-A2 SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 EP disclosed
WO-2006051502-A2 SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2006-05-18 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-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases EDNRA, EDNRB, ECE1 CA2 980/4885CA1 3941/4885CA9 2546/4885

“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.