SCHEMBL943760

SCHEMBL943760

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.51
▸ CA1 P00915 6/20 0.51
▸ CA2 P00918 6/20 0.51
▸ CA9 Q16790 6/20 0.51
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MMP2 P08253 4/20 0.44
▸ MMP9 P14780 4/20 0.44
▸ MMP8 P22894 4/20 0.44
▸ MMP13 P45452 4/20 0.44
▸ PSMD10 O75832 1/20 0.40
▸ GUSB P08236 1/20 0.36
▸ APP P05067 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 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
SCHEMBL14043068 0.88 MMP2 (0.46) CA12CA1CA2CA9MMP2
SCHEMBL941807 0.85 MMP2 (0.43) CA12CA1CA2CA9MMP2
SCHEMBL941683 0.81 LMNA (0.61) CA12CA1CA2CA9CYP3A4
SCHEMBL13104167 0.80 CYP3A4 (0.56) CA12CA1CA2CA9CYP3A4
SCHEMBL942527 0.80 CYP3A4 (0.56) CA12CA1CA2CA9CYP3A4
SCHEMBL28634383 0.77 CA12 (0.49) CA12CA1CA2CA9CYP3A4
SCHEMBL14925314 0.75 MMP2 (0.51) CYP3A4CYP2C19MMP2MMP9MMP8
SCHEMBL943059 0.72 PSMD10 (0.34) CA12CA1CA2CA9CYP3A4
SCHEMBL27794804 0.72 CA12 (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL14924261 0.70 MMP2 (0.49) CA12CA1CA2CA9CYP3A4

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 15 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
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 CA12 453/4885CA1 128/4885CA2 184/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 CA12 414/4885CA1 117/4885CA2 176/4885

“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.

Send feedback