SCHEMBL3682976

SCHEMBL3682976

CC(=O)N[C@H]1[C@H]([C@H](O)[C@H]2COC(=O)O2)OC(C(=O)O)=C[C@@H]1NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 6/20 0.33
NEU3 Q9UQ49 5/20 0.33
NEU4 Q8WWR8 5/20 0.33
NEU1 Q99519 3/20 0.33
LMNA P02545 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
SCHEMBL3682978 1.00 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL3682974 1.00 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL23366168 0.94
SCHEMBL6328286 0.90
SCHEMBL21240052 0.88 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL21240051 0.88 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL26839250 0.83
SCHEMBL23662990 0.83
SCHEMBL4680785 0.82
SCHEMBL4680771 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795301-B2 Dimeric compounds and their use as anti-viral agents BIOTA SCIENTIFIC MANAGEMENT PTY, LTD. (AU) 2010-09-14 US disclosed
US-7504434-B2 Dimeric compounds and their use as anti-viral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2009-03-17 US disclosed
EP-1423385-B1 INTERMEDIATES FOR PREPARING NEURAMINIDASE INHIBITOR CONJUGATES BIOTA SCIENT MANAGEMENT (AU) 2008-07-02 EP disclosed
EP-1451182-B1 DIMERIC COMPOUNDS AND THEIR USE AS ANTI-VIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2008-06-11 EP disclosed
EP-1451184-B1 DIMERIC COMPOUNDS AND THEIR USE AS ANTI-VIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2008-06-11 EP disclosed
US-20070293564-A1 Dimeric compounds and their use as anti-viral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. 2007-12-20 US disclosed
US-20070225361-A1 DIMERIC COMPOUNDS AND THEIR USE AS ANTI-VIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD. 2007-09-27 US disclosed
US-20070225359-A1 DIMERIC COMPOUNDS AND THEIR USE AS ANTI-VIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD. 2007-09-27 US disclosed
US-7230028-B2 Dimeric compounds and their use as anti-viral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2007-06-12 US disclosed
US-7230114-B2 Intermediates for preparing neuraminidase inhibitor conjugates BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-06-12 US disclosed
US-7214707-B2 Dimeric compounds and their use as anti-viral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2007-05-08 US disclosed
US-20050085413-A1 Dimeric pharmaceutical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2005-04-21 US disclosed
US-20050043399-A1 Dimeric compounds and their use as anti-viral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2005-02-24 US disclosed
US-20050032853-A1 Intermediates for preparing neuraminidase inhibitor conjugates BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2005-02-10 US disclosed
EP-1423385-A4 INTERMEDIATES FOR PREPARING NEURAMINIDASE INHIBITOR CONJUGATES BIOTA SCIENT MANAGEMENT (AU) 2004-12-01 EP disclosed
EP-1423385-A1 INTERMEDIATES FOR PREPARING NEURAMINIDASE INHIBITOR CONJUGATES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2004-06-02 EP disclosed
WO-2003022841-A1 INTERMEDIATES FOR PREPARING NEURAMINIDASE INHIBITOR CONJUGATES BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2003-03-20 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 (6 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-20070225359-A1 DIMERIC COMPOUNDS AND THEIR USE AS ANTI-VIRAL AGENTS SARS1, EIF2AK2, ZC3HAV1 NEU2 680/4885NEU3 917/4885NEU4 1355/4885
US-20050043399-A1 Dimeric compounds and their use as anti-viral agents SARS1, EIF2AK2, ZC3HAV1 NEU2 680/4885NEU3 917/4885NEU4 1355/4885
US-20050032853-A1 Intermediates for preparing neuraminidase inhibitor conjugates NEU1, NEU3, NEU2 NEU2 3/4885NEU3 2/4885NEU4 6/4885
US-20050085413-A1 Dimeric pharmaceutical compounds and their use FPR1, F12, XDH NEU2 1548/4885NEU3 2516/4885NEU4 3342/4885
US-20070293564-A1 Dimeric compounds and their use as anti-viral agents MAVS, EIF2AK2, SARS1 NEU2 1169/4885NEU3 1482/4885NEU4 1599/4885
US-20070225361-A1 DIMERIC COMPOUNDS AND THEIR USE AS ANTI-VIRAL AGENTS EIF2AK2, IRF3, SARS1 NEU2 566/4885NEU3 913/4885NEU4 1084/4885

“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.