SCHEMBL2268263

SCHEMBL2268263

CC(C)c1cc(-c2nnc(O)n2-c2ccc3c(c2)CCC3)c(OP(=O)(O)O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.64
HSP90AB1 P08238 19/20 0.64

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
SCHEMBL1585986 0.94 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3705974 0.85 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL1586688 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL12368042 0.85 HSP90AB1 (0.88) HSP90AA1HSP90AB1
SCHEMBL1586727 0.80 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL12486641 0.80 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL2271316 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL2271305 0.78 HSP90AB1 (1.00) HSP90AA1HSP90AB1
SCHEMBL929652 0.75 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL1863720 0.75 HSP90AA1 (0.49) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742133-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
EP-2678014-A2 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2014-01-01 EP claimed
EP-2648708-A2 COMBINATION FOR BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2013-10-16 EP claimed
WO-2012141796-A2 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-10-18 WO claimed
WO-2012116247-A1 HSP90 INHIBITORY COMPOUNDS IN TREATING JAK/STAT SIGNALING-MEDIATED CANCERS SYNTA PHARMACEUTICALS CORP. (US) 2012-08-30 WO claimed
WO-2012116061-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH RADIOTHERAPY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-30 WO claimed
WO-2012078757-A2 COMBINATION BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-06-14 WO claimed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US claimed
EP-2193135-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2010-06-09 EP claimed
WO-2009023211-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-02-19 WO claimed
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 US disclosed
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 US disclosed
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US disclosed
EP-2193135-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2010-06-09 EP disclosed
WO-2009023211-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-02-19 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 (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-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 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.