SCHEMBL19874548

SCHEMBL19874548

CCCCCCCCCCCCCCC(COc1ccc(S(=O)(=O)N=[N+]=[N-])cc1)Oc1ccc(S(=O)(=O)N=[N+]=[N-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRC Q99895 1/20 0.41
▸ PLA2G2A P14555 3/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MMP9 P14780 3/20 0.36
▸ MMP13 P45452 3/20 0.36
▸ ADAM17 P78536 3/20 0.36
▸ S1PR1 P21453 3/20 0.35
▸ MMP1 P03956 2/20 0.35
▸ CA4 P22748 1/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 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
SCHEMBL19891714 0.78 CA1 (0.35) CA1CA2CA7CA9CA12
SCHEMBL19874475 0.74 CA12 (0.44) CA1CA2CA7CA9CA12
SCHEMBL19874527 0.74 CA12 (0.44) CA1CA2CA7CA9CA12
SCHEMBL14805176 0.74 CA12 (0.54) CA1CA2CA7CA9CA12
SCHEMBL13153850 0.73 SLC2A1 (0.46) PLA2G2ATSHRS1PR1S1PR4S1PR5
SCHEMBL9629030 0.73 NR5A1 (0.58) CTRCPLA2G2AS1PR1S1PR4S1PR5
SCHEMBL31268593 0.73 SLC2A1 (0.46) PLA2G2ATSHRS1PR1S1PR4S1PR5
SCHEMBL9629026 0.73 NR5A1 (0.58) CTRCPLA2G2AS1PR1S1PR4S1PR5
SCHEMBL13153855 0.73 SLC2A1 (0.46) PLA2G2ATSHRS1PR1S1PR4S1PR5
SCHEMBL8032383 0.73 LTA4H (0.47) CTRCPLA2G2ASLC2A1PLA2G4BNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406379-B Non-explosive bis-sulfonyl azides 戴纳米特诺贝尔爆炸材料和系统工程有限公司 2020-10-16 — — CN claimed
EP-3268352-B1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF UND SYSTEMTECHNIK (DE) 2020-06-10 — — EP claimed
US-10385016-B2 Non explosive bis-sulfonyl azides DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2019-08-20 — — US claimed
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF- UND SYSTEMTECHNIK (DE) 2018-02-22 — — US claimed
CN-107406379-B Non-explosive bis-sulfonyl azides 戴纳米特诺贝尔爆炸材料和系统工程有限公司 2020-10-16 — — CN disclosed
EP-3268352-B1 NON EXPLOSIVE BIS-SULFONYL AZIDES DYNAMIT NOBEL GMBH EXPLOSIVSTOFF UND SYSTEMTECHNIK (DE) 2020-06-10 — — EP disclosed
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

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 CTRC 3865/4885PLA2G2A 3742/4885CA1 2823/4885
US-20180050988-A1 NON EXPLOSIVE BIS-SULFONYL AZIDES ARSA, MSRB3, NES CTRC 3868/4885PLA2G2A 3777/4885CA1 2828/4885

“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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