SCHEMBL4566973

SCHEMBL4566973

Cn1ccc2cc(-n3c(-c4cc(CCc5ccc(F)cc5F)c(O)cc4O)n[nH]c3=S)ccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.58
HSP90AB1 P08238 16/20 0.58
HSP90B1 P14625 1/20 0.49
TRAP1 Q12931 1/20 0.49
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4566974 0.93 HSP90AA1 (0.58) HSP90AA1HSP90AB1HSP90B1TRAP1MAPK9
SCHEMBL4566975 0.89 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1TRAP1MAPK9
SCHEMBL421198 0.85 HSP90AB1 (0.72) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3708941 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4566960 0.82 HSP90AB1 (0.63) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3706628 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4566948 0.80 HSP90AB1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4566950 0.80 HSP90AA1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4566951 0.78 HSP90AB1 (0.61) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL421109 0.78 HSP90AB1 (0.78) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 US disclosed
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 US disclosed
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 US disclosed
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 US disclosed
US-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 US disclosed
US-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 US disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US 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-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, CDC37 HSP90AA1 4/4885HSP90AB1 1/4885HSP90B1 2/4885
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885HSP90B1 4/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HSP90B1 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.