SCHEMBL5044539

SCHEMBL5044539

CC(C)c1cc(-c2n[nH]c(=O)n2CCCN2CCOCC2)c(O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 17/20 0.61
HSP90AA1 P07900 16/20 0.61
TRAP1 Q12931 2/20 0.46
HSP90B1 P14625 1/20 0.46
PDK1 Q15118 1/20 0.41

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
SCHEMBL5003222 0.95 HSP90AB1 (0.64) HSP90AB1HSP90AA1TRAP1HSP90B1PDK1
SCHEMBL14925039 0.86 HSP90AA1 (0.45) HSP90AB1HSP90AA1
SCHEMBL5002735 0.81 HSP90AA1 (0.47) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL14930052 0.79 HSP90AA1 (0.46) HSP90AB1HSP90AA1
SCHEMBL5025913 0.78 HSP90AA1 (0.45) HSP90AB1HSP90AA1TRAP1HSP90B1PDK1
SCHEMBL5002732 0.78 HSP90AA1 (0.68) HSP90AB1HSP90AA1TRAP1HSP90B1PDK1
SCHEMBL5006567 0.78 HSP90AB1 (0.56) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL13707077 0.76 HSP90AB1 (0.80) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL12047171 0.76 HSP90AB1 (1.00) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL16915557 0.75 HSP90AB1 (0.60) HSP90AB1HSP90AA1TRAP1HSP90B1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357573-B2 Block copolymer conjugate of physiologically active substance NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-07-23 US disclosed
US-20180050112-A1 Block Copolymer Conjugate Of Physiologically Active Substance NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-20180050112-A1 Block Copolymer Conjugate Of Physiologically Active Substance NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2016-09-29 US disclosed
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2016-09-29 US disclosed
WO-2016136641-A1 BLOCK COPOLYMER CONJUGATE OF PHYSIOLOGICALLY ACTIVE SUBSTANCE 日本化薬株式会社 2016-09-01 WO disclosed
US-20150011715-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2015-01-08 US disclosed
US-20150011715-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2015-01-08 US disclosed
US-20130116253-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-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-20090239782-A1 High-molecular weight conjugate of resorcinol derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-09-24 US disclosed
US-20090239782-A1 High-molecular weight conjugate of resorcinol derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-09-24 US disclosed
EP-2070971-A1 COMPOUND OF RESORCINOL DERIVATIVE WITH POLYMER Nippon Kayaku Kabushiki Kaisha (JP) 2009-06-17 EP 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
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 (7 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-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AB1 1/4885HSP90AA1 4/4885TRAP1 19/4885
US-20090239782-A1 High-molecular weight conjugate of resorcinol derivatives WDR48, SLC43A1, LRAT HSP90AB1 765/4885HSP90AA1 389/4885TRAP1 1234/4885
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives WDR48, SLC43A1, LRAT HSP90AB1 765/4885HSP90AA1 389/4885TRAP1 1234/4885
US-20180050112-A1 Block Copolymer Conjugate Of Physiologically Active Substance TACR1, PLAUR, LNPEP HSP90AB1 1364/4885HSP90AA1 1435/4885TRAP1 2467/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AB1 1/4885HSP90AA1 4/4885TRAP1 19/4885
US-10357573-B2 Block copolymer conjugate of physiologically active substance TACR1, PLAUR, LNPEP HSP90AB1 1364/4885HSP90AA1 1435/4885TRAP1 2467/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AB1 1/4885HSP90AA1 4/4885TRAP1 19/4885

“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.