SCHEMBL18088499

SCHEMBL18088499

[N-]=[N+]=NS(=O)(=O)c1ccc(OCC2CC3C4CC(COc5ccc(S(=O)(=O)N=[N+]=[N-])cc5)C(C4)C3C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL19891668 0.82 CA12 (0.43) ALDH1A1
SCHEMBL18088493 0.79 PARP15 (0.45) PKMALDH1A1LMNAGAA
SCHEMBL12227201 0.70 PARP15 (0.37) —
SCHEMBL19874475 0.69 CA12 (0.44) GAA
SCHEMBL19874527 0.69 CA12 (0.44) GAA
SCHEMBL14805173 0.69 CA1 (0.35) PKMALDH1A1LMNAGAA
SCHEMBL14805176 0.69 CA12 (0.54) PKMALDH1A1LMNAGAA
SCHEMBL19887232 0.68 CA1 (0.39) —
SCHEMBL26812 0.66 HTT (0.47) ALDH1A1LMNAGAA
SCHEMBL10823807 0.66 CA1 (0.43) ALDH1A1LMNAGAA

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-10385016-B2 Non explosive bis-sulfonyl azides DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2019-08-20 — — US disclosed
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2018-02-22 — — US disclosed
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2018-02-22 — — US disclosed
WO-2016146597-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2016-09-22 — — 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 (2 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-10385016-B2 Non explosive bis-sulfonyl azides ARSA, MSRB3, NES PKM 3768/4885ALDH1A1 851/4885LMNA 1370/4885
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES ARSA, MSRB3, NES PKM 3751/4885ALDH1A1 887/4885LMNA 1327/4885

“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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