SCHEMBL1865233

SCHEMBL1865233

CC(C)c1cc(-c2nnc(SCc3cscn3)n2-c2ccc3c(c2)OCO3)c(O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.44
HSP90AB1 P08238 4/20 0.44
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
METAP2 P50579 2/20 0.37
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1870255 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1865542 0.83 HSP90AA1 (0.45) HSP90AA1HSP90AB1ALDH1A1TP53NPSR1
SCHEMBL12634604 0.83 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1TP53NPSR1
SCHEMBL1871159 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1867331 0.80 KMT2A (0.44) HSP90AA1HSP90AB1ALDH1A1LMNAKMT2A
SCHEMBL1866474 0.80 HSP90AB1 (0.59) HSP90AA1HSP90AB1ALDH1A1LMNAKMT2A
SCHEMBL14791263 0.79 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1TP53NPSR1
SCHEMBL1872140 0.78 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1LMNAKMT2A
SCHEMBL1865355 0.76 HSP90AB1 (0.62) HSP90AA1HSP90AB1
SCHEMBL3702334 0.76 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118077-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-12-24 EP disclosed
EP-2118077-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-12-24 EP disclosed
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-09-25 US disclosed
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-09-25 US disclosed
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-09-25 US disclosed
US-8748424-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-10 US disclosed
US-8748424-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-10 US disclosed
US-8748424-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-10 US disclosed
US-20130072489-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-20130072489-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-20130072489-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US disclosed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US disclosed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
EP-2118077-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-11-18 EP disclosed
WO-2008097640-A2 TRIAZOLE COMPOUNDS THAT ARE USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS, SUCH AS CANCER SYNTA PHARMACEUTICALS CORP. (US) 2008-08-14 WO disclosed
WO-2008097640-A2 TRIAZOLE COMPOUNDS THAT ARE USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS, SUCH AS CANCER SYNTA PHARMACEUTICALS CORP. (US) 2008-08-14 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-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ADORA2B 3913/4885
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ADORA2B 4370/4885
US-20130072489-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ADORA2B 4311/4885

“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.