SCHEMBL941807

SCHEMBL941807

Cc1ccc(S(=O)(=O)OCCn2cc(Cn3ccnc3[N+](=O)[O-])nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ PSMD10 O75832 1/20 0.39
▸ KCNH2 Q12809 5/20 0.38
▸ CA12 O43570 5/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ GUSB P08236 1/20 0.36
▸ TYMP P19971 3/20 0.35
▸ NLRP3 Q96P20 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 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
SCHEMBL943760 0.85 CA12 (0.51) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL28634383 0.84 CA12 (0.49) CA12CA1CA2CA9TYMP
SCHEMBL943059 0.81 PSMD10 (0.34) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL27829046 0.80 EGFR (0.37) MMP2MMP9MMP8MMP13
SCHEMBL12427963 0.78 TYMP (0.43) KCNH2CA12CA1CA2CA9
SCHEMBL27794804 0.78 CA12 (0.46) CA12CA1CA2CA9
SCHEMBL12264731 0.76 LMNA (0.41) MMP2MMP9MMP8MMP13CA12
SCHEMBL27829237 0.76 DRD2 (0.42) MMP2MMP9MMP8MMP13CA12
SCHEMBL12427881 0.76 TYMP (0.43) KCNH2CA12CA1CA2CA9
SCHEMBL943184 0.76 TYMP (0.43) KCNH2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132200-B1 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-23 — — EP disclosed
EP-2132200-B1 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-23 — — EP disclosed
US-7977361-B2 Nitro-imidazole hypoxia imaging agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-12 — — US disclosed
US-7977361-B2 Nitro-imidazole hypoxia imaging agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-12 — — US disclosed
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-01-06 — — US disclosed
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-01-06 — — US disclosed
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 — — US disclosed
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 — — US disclosed
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 — — US disclosed
EP-2132200-A2 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS Siemens Medical Solutions USA, Inc. (US) 2009-12-16 — — EP disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 — — US disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 — — US disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 — — US disclosed
WO-2008124651-A2 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 — — 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-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents HIF1AN, HIF1A, HYOU1 MMP2 3559/4885MMP9 4034/4885MMP8 2257/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 MMP2 3576/4885MMP9 4047/4885MMP8 2269/4885

“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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