SCHEMBL12616099

SCHEMBL12616099

CO[C@@H]1O[C@H](CNC(C)=O)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.52
▸ CA2 P00918 7/20 0.52
▸ CA9 Q16790 7/20 0.52
▸ G6PD P11413 3/20 0.46
▸ LGALS8 O00214 2/20 0.43

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
SCHEMBL15704433 0.98 CA1 (0.54) CA1CA2CA9G6PDLGALS8
SCHEMBL24894017 0.98 CA1 (0.54) CA1CA2CA9G6PDLGALS8
SCHEMBL10291117 0.87 CA1 (0.41) CA1CA2CA9G6PDLGALS8
SCHEMBL15762333 0.83 CA1 (0.50) CA1CA2CA9G6PDLGALS8
SCHEMBL15669073 0.83 CA1 (0.50) CA1CA2CA9G6PDLGALS8
SCHEMBL15764698 0.83 CA1 (0.50) CA1CA2CA9G6PDLGALS8
SCHEMBL6933721 0.82 ALDH1A1 (0.43) CA1CA2CA9
SCHEMBL19961517 0.81 PTPN1 (0.48) LGALS8
SCHEMBL19958440 0.81 PTPN1 (0.48) LGALS8
SCHEMBL1521177 0.81 CA1 (0.43) CA1CA2CA9G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 — — US disclosed
US-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 — — US disclosed
US-20100105630-A1 NOVOBIOCIN ANALOGUES AS NEUROPROTECTIVE AGENTS AND IN THE TREATMENT OF AUTOIMMUNE DISORDERS UNIVERSITY OF KANSAS (US) 2010-04-29 — — US disclosed
US-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 — — US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 — — 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-20100105630-A1 NOVOBIOCIN ANALOGUES AS NEUROPROTECTIVE AGENTS AND IN THE TREATMENT OF AUTOIMMUNE DISORDERS SSB, IAPP, NLN CA1 3105/4885CA2 4828/4885CA9 4628/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN CA1 3105/4885CA2 4828/4885CA9 4628/4885

“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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