SCHEMBL1864951

SCHEMBL1864951

COCc1ccc(Cn2c(SCc3cccnc3)nnc2-c2cc(C(C)C)c(O)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRK1 P41145 4/20 0.45
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE6D O43924 2/20 0.42
CPB1 P15086 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL14791258 0.89 HIF1A (0.47) ALDH1A1GAAALOX15HTTNPSR1
SCHEMBL14791259 0.82 HSP90AA1 (0.41) ALDH1A1GAAALOX15HTTNPSR1
SCHEMBL1866836 0.81 GAA (0.58) ALDH1A1GAAALOX15HTTNPSR1
SCHEMBL1864069 0.79 HSP90AA1 (0.50) ALDH1A1GAAALOX15KDM4EHSP90AA1
SCHEMBL1864578 0.79 HSP90AA1 (0.50) ALDH1A1GAAALOX15HTTHSP90AA1
SCHEMBL1866440 0.79 HSP90AA1 (0.50) ALDH1A1GAAALOX15HTTNPSR1
SCHEMBL6746816 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL1867832 0.78 GAA (0.52) ALDH1A1GAAALOX15HTTNPSR1
SCHEMBL1861383 0.77 HSP90AA1 (0.52) ALDH1A1GAAALOX15HTTHSP90AA1
SCHEMBL6746760 0.76 HSP90AA1 (0.43) 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 16 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-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 ALDH1A1 2994/4885GAA 1031/4885ALOX15 3737/4885
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2165/4885GAA 1052/4885ALOX15 3504/4885
US-20130072489-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2514/4885GAA 1345/4885ALOX15 3545/4885

“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.