SCHEMBL4902176

SCHEMBL4902176

COc1ccc(Cn2c(Sc3cc4c(cc3Cl)OCO4)nc3c(N)nccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.65
CDC37 Q16543 4/20 0.65
HSP90AB1 P08238 1/20 0.59

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
SCHEMBL4131796 0.91 HSP90AA1 (0.62) HSP90AA1CDC37
SCHEMBL4134971 0.91 HSP90AA1 (0.62) HSP90AA1CDC37
SCHEMBL5000437 0.91 HSP90AA1 (0.66) HSP90AA1CDC37
SCHEMBL1743455 0.90 HSP90AA1 (0.67) HSP90AA1CDC37HSP90AB1
SCHEMBL1743249 0.90 HSP90AA1 (0.69) HSP90AA1CDC37
SCHEMBL4997832 0.89 HSP90AA1 (0.65) HSP90AA1CDC37HSP90AB1
SCHEMBL2447929 0.89 HSP90AA1 (0.64) HSP90AA1CDC37HSP90AB1
SCHEMBL16486917 0.85 HSP90B1 (0.60) HSP90AA1CDC37HSP90AB1
SCHEMBL1744459 0.85 HSP90AA1 (0.64) HSP90AA1CDC37
SCHEMBL4139758 0.82 HSP90AA1 (0.79) HSP90AA1CDC37HSP90AB1

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 417/4885CDC37 269/4885HSP90AB1 157/4885
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885CDC37 9/4885HSP90AB1 1/4885

“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.