SCHEMBL12411519

SCHEMBL12411519

CC(C)(C)OC(=O)NCCC(=O)O[C@H]1CC[C@H](Nc2cc(-n3c4ccccc4c4c(-c5nc6ccc(F)cc6[nH]5)cccc43)ccc2C(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.40
HSP90AB1 P08238 2/20 0.37
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 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
SCHEMBL2182263 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1BACE1BACE2
SCHEMBL2182557 0.95 HSP90AA1 (0.40) HSP90AA1HSP90AB1BACE1BACE2
SCHEMBL12411841 0.95 HSP90AA1 (0.40) HSP90AA1HSP90AB1BACE1BACE2
SCHEMBL12411496 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1BACE1BACE2
SCHEMBL12411525 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL2181418 0.89 HSP90AA1 (0.37) HSP90AA1HSP90AB1BACE1BACE2
SCHEMBL12411529 0.88 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL13658319 0.88 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL12411844 0.88 HSP90AA1 (0.40) HSP90AA1HSP90AB1BACE1BACE2
SCHEMBL2180518 0.88 HSP90AA1 (0.40) HSP90AA1HSP90AB1BACE1BACE2

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-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 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 (1 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885BACE1 4396/4885

“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.