SCHEMBL1607595

SCHEMBL1607595

O=C[C@H](O)[C@H](O)[C@H](O)COC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL624112 0.94 MPI (0.37) MPIALDH1A1
SCHEMBL419463 0.94 MPI (0.37) MPIALDH1A1
Bicarbonate SCHEMBL8384988 0.92 MPI (0.36) MPIALDH1A1
Bicarbonate SCHEMBL8384375 0.92 MPI (0.36) MPIALDH1A1
SCHEMBL1032576 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7070578 0.82 MPI (0.37) MPIALDH1A1
SCHEMBL1257819 0.82 MPI (0.37) MPI
SCHEMBL7068623 0.82 MPI (0.37) MPIALDH1A1
SCHEMBL7066959 0.82 MPI (0.37) MPIALDH1A1
SCHEMBL2781260 0.82 MPI (0.37) MPI

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807440-B1 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIV KANSAS (US) 2020-02-19 EP disclosed
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
EP-2438078-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2012-04-11 EP 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-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 WO 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-20100048882-A1 Novobiocin Analogues as Anticancer Agents UNIVERSITY OF KANSAS (US) 2010-02-25 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-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 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
EP-1807440-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS The University of Kansas (US) 2007-07-18 EP disclosed
US-20060199776-A1 Novobiocin analogues as anticancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-07 US disclosed
WO-2006050501-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIVERSITY OF KANSAS (US) 2006-05-11 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 (8 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 MPI 2961/4885ALDH1A1 4309/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P MPI 1930/4885ALDH1A1 3407/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN MPI 2961/4885ALDH1A1 4309/4885
US-20060199776-A1 Novobiocin analogues as anticancer agents HSP90B1, HSP90AB2P, HSP90AB1 MPI 1086/4885ALDH1A1 2718/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 MPI 268/4885ALDH1A1 3066/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD MPI 2374/4885ALDH1A1 4519/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 MPI 4320/4885ALDH1A1 4382/4885
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents HSP90B1, HSP90AB2P, HSP90AB1 MPI 1086/4885ALDH1A1 2718/4885

“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.