SCHEMBL2268041

SCHEMBL2268041

CCOCOc1cc(OCc2ccccc2)c(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)cc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 19/20 0.57
HSP90AA1 P07900 17/20 0.57
HSP90B1 P14625 1/20 0.57
TRAP1 Q12931 1/20 0.57
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14123937 0.94 HSP90AB1 (0.64) HSP90AB1HSP90AA1HSP90B1TRAP1NPC1
SCHEMBL16107375 0.92 HSP90AB1 (0.58) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL12391441 0.89 HSP90AB1 (0.59) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL12047274 0.88 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1TRAP1NPC1
SCHEMBL12368070 0.88 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL2263981 0.83 HSP90AA1 (0.61) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL12060302 0.82 HSP90AB1 (0.66) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL14123932 0.79 HSP90AA1 (0.66) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL4566998 0.78 HSP90AB1 (0.49) HSP90AB1HSP90AA1HSP90B1TRAP1NPC1
SCHEMBL28567205 0.78 NPC1 (0.51) HSP90AB1HSP90AA1HSP90B1TRAP1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2014-10-02 US disclosed
US-8742133-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 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 (3 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 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 2/4885

“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.