SCHEMBL6936704

SCHEMBL6936704

COC1C(OC(N)=O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2)OC1(C)C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.78
HSP90AB1 P08238 5/20 0.78
MAP1LC3B Q9GZQ8 2/20 0.78
MAP1LC3A Q9H492 2/20 0.78
POLQ O75417 1/20 0.78
ALB P02768 1/20 0.78
KDR P35968 1/20 0.78
ABCG2 Q9UNQ0 1/20 0.78
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.68
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
RECQL P46063 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ELAVL1 Q15717 1/20 0.51

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
SCHEMBL13621124 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL13609408 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10306487 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL19519357 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10306500 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL17049896 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6937254 0.94 HSP90AA1 (0.69) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
Novobiocin SCHEMBL24589148 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
Novobiocin SCHEMBL24229298 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
Novobiocin SCHEMBL23416512 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7811998-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2010-10-12 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 HSP90AA1 529/4885HSP90AB1 181/4885MAP1LC3B 246/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 1/4885MAP1LC3B 217/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885MAP1LC3B 1831/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 HSP90AA1 17/4885HSP90AB1 13/4885MAP1LC3B 3413/4885
US-20100048882-A1 Novobiocin Analogues as Anticancer Agents HSP90B1, HSP90AB2P, HSP90AB1 HSP90AA1 7/4885HSP90AB1 3/4885MAP1LC3B 163/4885

“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.