SCHEMBL500796

SCHEMBL500796

CC(C)c1cc(-c2nnc(C(=O)O)n2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
HSP90AA1 P07900 18/20 0.52
HSP90B1 P14625 2/20 0.52
TRAP1 Q12931 2/20 0.52
HSP90AB1 P08238 3/20 0.50

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
SCHEMBL501013 0.92 PDK1 (0.59) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1866437 0.89 HSP90AA1 (0.53) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1866153 0.89 HSP90AA1 (0.61) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL500601 0.89 HSP90AA1 (0.51) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1862943 0.88 HSP90AA1 (0.52) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL501392 0.88 HSP90AA1 (0.50) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL5002925 0.88 PDK1 (0.52) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1865421 0.87 HSP90AA1 (0.53) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL1865169 0.87 HSP90AA1 (0.51) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL15380652 0.87 HSP90AA1 (0.49) PDK1HSP90AA1HSP90B1TRAP1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US claimed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US claimed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP claimed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO claimed
US-20210085700-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2021-03-25 US disclosed
US-10828315-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-11-10 US disclosed
US-20200316090-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. 2020-10-08 US disclosed
US-10722525-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-10675360-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-10232049-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2019-03-19 US disclosed
US-9956293-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-9956293-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO 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 (8 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-20200316090-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 PDK1 2418/4885HSP90AA1 5/4885HSP90B1 3/4885
US-20210085700-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 PDK1 2418/4885HSP90AA1 5/4885HSP90B1 3/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PDK1 1289/4885HSP90AA1 3/4885HSP90B1 2/4885
US-10675360-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 PDK1 2418/4885HSP90AA1 5/4885HSP90B1 3/4885
US-10232049-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 PDK1 2418/4885HSP90AA1 5/4885HSP90B1 3/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 PDK1 1289/4885HSP90AA1 3/4885HSP90B1 2/4885
US-10722525-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 PDK1 2418/4885HSP90AA1 5/4885HSP90B1 3/4885
US-10828315-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 PDK1 2418/4885HSP90AA1 5/4885HSP90B1 3/4885

“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.