SCHEMBL6931164

SCHEMBL6931164

COC1OC(C)(C)[C@H](C)[C@H](OC(N)=O)[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 2/20 0.32
METAP2 P50579 1/20 0.32
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31

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
SCHEMBL6932735 0.88 METAP2 (0.32) METAP2HSP90AA1HSP90AB1
SCHEMBL13620870 0.86 HSP90AA1 (0.39) LGALS8METAP2HSP90AA1HSP90AB1
SCHEMBL10259547 0.86 HSP90AA1 (0.39) LGALS8METAP2HSP90AA1HSP90AB1
SCHEMBL10306468 0.86 HSP90AA1 (0.39) LGALS8METAP2HSP90AA1HSP90AB1
SCHEMBL13609342 0.86 HSP90AA1 (0.39) LGALS8METAP2HSP90AA1HSP90AB1
SCHEMBL7885428 0.86 HSP90AA1 (0.39) LGALS8METAP2HSP90AA1HSP90AB1
SCHEMBL7882575 0.78 HSP90AA1 (0.36) METAP2HSP90AA1HSP90AB1
SCHEMBL10260098 0.78 HSP90AA1 (0.36) METAP2HSP90AA1HSP90AB1
SCHEMBL10306466 0.78 HSP90AA1 (0.36) METAP2HSP90AA1HSP90AB1
SCHEMBL13620869 0.78 HSP90AA1 (0.36) METAP2HSP90AA1HSP90AB1

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 3 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-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

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 LGALS8 266/4885METAP2 3911/4885HSP90AA1 4/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 LGALS8 4219/4885METAP2 4279/4885HSP90AA1 17/4885

“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.