SCHEMBL19887232

SCHEMBL19887232

[N-]=[N+]=NS(=O)(=O)c1ccc(OCCOCCOCCOc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.39
▸ CA2 P00918 8/20 0.39
▸ CA9 Q16790 8/20 0.39
▸ CA12 O43570 7/20 0.39
▸ CA7 P43166 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ABCG2 Q9UNQ0 6/20 0.37
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA4 P22748 3/20 0.35
▸ CA5A P35218 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL19874475 0.89 CA12 (0.44) CA1CA2CA9CA12CA7
SCHEMBL19874527 0.89 CA12 (0.44) CA1CA2CA9CA12CA7
SCHEMBL14805173 0.82 CA1 (0.35) CA1CA2CA9CA12CA7
SCHEMBL14805176 0.82 CA12 (0.54) CA1CA2CA9CA12CA7
SCHEMBL19891667 0.81 CA1 (0.38) CA1CA2CA9CA12CA7
SCHEMBL14798633 0.81 CA12 (0.38) CA1CA2CA9CA12CA7
SCHEMBL14798639 0.81 CA12 (0.38) CA1CA2CA9CA12CA7
SCHEMBL26812 0.79 HTT (0.47) CA1CA2CA9TSHRMAPK1
SCHEMBL14798078 0.79 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL14797996 0.79 CA12 (0.36) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2018-02-22 — — 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-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES ARSA, MSRB3, NES CA1 2828/4885CA2 1444/4885CA9 1954/4885

“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.

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