SCHEMBL4786852

SCHEMBL4786852

CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)cc2)c(O)cc1O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.78
HSP90AB1 P08238 19/20 0.78
G6PD P11413 1/20 0.42

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
SCHEMBL12046848 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1G6PD
SCHEMBL4740712 0.88 HSP90AA1 (0.75) HSP90AA1HSP90AB1G6PD
SCHEMBL1305315 0.86 HSP90AA1 (0.70) HSP90AA1HSP90AB1
SCHEMBL4784916 0.86 HSP90AA1 (0.60) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL4784799 0.85 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL4743521 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL14777477 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL1865482 0.84 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL4786600 0.84 HSP90AB1 (0.57) HSP90AA1HSP90AB1
SCHEMBL1304392 0.83 HSP90AA1 (0.67) HSP90AA1HSP90AB1

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
WO-2008103353-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO claimed
WO-2008103353-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed
WO-2008103353-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885G6PD 2653/4885

“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.