SCHEMBL5006570

SCHEMBL5006570

COc1ccc(-n2c(NS(C)(=O)=O)nnc2-c2cc(C(C)C)c(O)cc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.51
HSP90AB1 P08238 19/20 0.51
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL14925088 0.88 APLNR (0.41) HSP90AA1HSP90AB1MEN1ALDH1A1GAA
SCHEMBL5008459 0.84 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1ALDH1A1GAA
SCHEMBL14780806 0.81 APLNR (0.39) HSP90AA1HSP90AB1
SCHEMBL14048021 0.79 HSP90AA1 (0.54) HSP90AA1HSP90AB1
SCHEMBL14029943 0.79 APLNR (0.39) HSP90AA1HSP90AB1
SCHEMBL5002770 0.78 HSP90AA1 (0.60) HSP90AA1HSP90AB1MEN1ALDH1A1KMT2A
SCHEMBL500412 0.78 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL14048085 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL5008391 0.76 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1ALDH1A1GAA
SCHEMBL5003247 0.75 HSP90AB1 (0.47) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857446-B1 Derivatives of 3-(2,4-dihydroxyphenyl)-1,2,4-triazole useful in the treatment of cancer NIPPON KAYAKU KK (JP) 2013-05-01 EP claimed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US claimed
EP-1857446-A1 NOVEL HSP90 INHIBITOR Nippon Kayaku Kabushiki Kaisha (JP) 2007-11-21 EP claimed
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-20130116431-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-20130116253-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-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-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
EP-1857446-B1 Derivatives of 3-(2,4-dihydroxyphenyl)-1,2,4-triazole useful in the treatment of cancer NIPPON KAYAKU KK (JP) 2013-05-01 EP disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 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
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
EP-1857446-A1 NOVEL HSP90 INHIBITOR Nippon Kayaku Kabushiki Kaisha (JP) 2007-11-21 EP 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 1/4885MEN1 4815/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885MEN1 4815/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885MEN1 4757/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885MEN1 4815/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885MEN1 4815/4885

“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.