SCHEMBL4894541

SCHEMBL4894541

CC(=O)OCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.69
HSP90AB1 P08238 11/20 0.69
TRAP1 Q12931 4/20 0.66
ERBB2 P04626 1/20 0.66
HSP90B1 P14625 1/20 0.66
HDAC3 O15379 4/20 0.63
HDAC4 P56524 4/20 0.63
HDAC1 Q13547 4/20 0.63
HDAC7 Q8WUI4 4/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC10 Q969S8 4/20 0.63
HDAC11 Q96DB2 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
HDAC9 Q9UKV0 4/20 0.63
HDAC5 Q9UQL6 4/20 0.63

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
SCHEMBL14067098 0.90 HDAC3 (0.58) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL4892928 0.90 HDAC3 (0.71) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL4903396 0.87 HSP90AB1 (0.68) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL15609765 0.86 HSP90AA1 (0.76) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL29581799 0.86 HSP90AA1 (0.76) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL15610030 0.86 HSP90AA1 (0.73) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL1745324 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1HSP90B1
SCHEMBL4788395 0.85 HSP90AB1 (0.76) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL18388884 0.85 HSP90AB1 (0.76) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1
SCHEMBL3465181 0.85 HSP90AB1 (0.76) HSP90AA1HSP90AB1TRAP1ERBB2HSP90B1

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-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 HSP90AA1 417/4885HSP90AB1 157/4885TRAP1 379/4885
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885TRAP1 22/4885

“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.