SCHEMBL10278560

SCHEMBL10278560

CCCN(CCC)C1CCC(n2c(C(=O)NCC)nnc2-c2cc(C(C)C)c(O)cc2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 16/20 0.43
HSP90AA1 P07900 11/20 0.43

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
SCHEMBL501425 0.93 HSP90AB1 (0.43) HSP90AB1HSP90AA1
SCHEMBL10278636 0.90 HSP90AA1 (0.36) HSP90AB1HSP90AA1
SCHEMBL501477 0.84 HSP90AB1 (0.48) HSP90AB1HSP90AA1
SCHEMBL501062 0.84 HSP90AA1 (0.39) HSP90AB1HSP90AA1
SCHEMBL500726 0.84 HSP90AB1 (0.47) HSP90AB1HSP90AA1
SCHEMBL500819 0.83 HSP90AA1 (0.39) HSP90AB1HSP90AA1
SCHEMBL501150 0.83 HSP90AB1 (0.47) HSP90AB1HSP90AA1
SCHEMBL501431 0.83 GHSR (0.41) HSP90AB1HSP90AA1
SCHEMBL501631 0.82 HSP90AB1 (0.46) HSP90AB1HSP90AA1
SCHEMBL500947 0.82 HSP90AB1 (0.58) HSP90AB1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 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 (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-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885

“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.