SCHEMBL6936604

SCHEMBL6936604

COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3ccc(OCCN(C)C)c(CC=C(C)C)c3)c(=O)oc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.68
HSP90AB1 P08238 14/20 0.68
MAOA P21397 1/20 0.41
MAPK14 Q16539 2/20 0.35
POLB P06746 1/20 0.35
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
TYK2 P29597 1/20 0.34
KDR P35968 1/20 0.34
SYK P43405 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
SLC5A7 Q9GZV3 1/20 0.34
MAOB P27338 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
SCHEMBL6935976 0.93 HSP90AA1 (0.79) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL6936597 0.89 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL20402814 0.87 HSP90AA1 (0.69) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL16702631 0.85 HSP90AA1 (0.88) HSP90AA1HSP90AB1KDRSLC5A7MAOB
SCHEMBL18123498 0.85 HSP90AA1 (0.82) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL16702647 0.84 HSP90AA1 (0.81) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL6936022 0.84 HSP90AA1 (0.91) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL12968043 0.83 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL1607463 0.82 HSP90AA1 (0.87) HSP90AA1HSP90AB1MAPK14LCKSRC
SCHEMBL16702307 0.82 HSP90AA1 (0.81) HSP90AA1HSP90AB1MAPK14LCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 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-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885MAOA 4780/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 HSP90AA1 17/4885HSP90AB1 13/4885MAOA 4863/4885

“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.