Sugi Predict

Sugi Predict / Compounds / SCHEMBL14029979

SCHEMBL14029979

SCHEMBL14029979

CC(C)c1cc(-c2nnc(S(=O)(=O)CCCN3CCCCC3)n2-c2ccc(O)cc2)c(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 17/20 0.42
▸ HSP90AB1 P08238 16/20 0.42
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ TRAP1 Q12931 1/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL5003564 0.91 HSP90AA1 (0.40) HSP90AA1HSP90AB1HSP90B1TRAP1HRH1
SCHEMBL5002893 0.85 CYP1A2 (0.39) HSP90AA1HSP90AB1CYP1A2CYP2D6MAPK1
SCHEMBL4999421 0.83 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL13707076 0.78 HSP90AA1 (0.53) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5002943 0.78 ABL1 (0.39) CYP2D6ABL1PDGFRBSRCHRH3
SCHEMBL5008867 0.76 CYP1A2 (0.39) HSP90AA1HSP90AB1CYP1A2CYP2D6MAPK1
SCHEMBL4999314 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL30385274 0.72 HSP90AA1 (0.50) HSP90AA1HSP90AB1CYP1A2CYP2D6MAPK1
SCHEMBL5006529 0.71 HSP90AB1 (0.43) HSP90AA1HSP90AB1
SCHEMBL5006477 0.70 PDK1 (0.50) HSP90AA1HSP90AB1HSP90B1TRAP1

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
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 — — US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 — — 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 (5 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885CYP1A2 1196/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885CYP1A2 1196/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885CYP1A2 1815/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885CYP1A2 1196/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885CYP1A2 1196/4885

“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.