SCHEMBL6747584

SCHEMBL6747584

CC(C)c1cc(-c2nnc(S)n2S(=O)(=O)c2ccc3c(c2)OCO3)c(O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.39
HSP90AA1 P07900 9/20 0.39
HSP90AB1 P08238 3/20 0.39
HSP90B1 P14625 2/20 0.38
TRAP1 Q12931 2/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6747581 0.90 CHRM4 (0.41) CHRM4HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3995575 0.87 CHRM4 (0.39) CHRM4HSP90AA1GLRA3GLRBALDH1A1
SCHEMBL6747531 0.80 GAA (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1ALDH1A1
SCHEMBL3702334 0.79 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6747238 0.78 HPGD (0.43) HSP90AA1HSP90B1TRAP1ALDH1A1PKM
SCHEMBL3995740 0.77 CHRM4 (0.40) CHRM4GLRA3GLRBALDH1A1LMNA
SCHEMBL6747603 0.77 HSP90AA1 (0.52) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL14342274 0.77 HSP90AA1 (0.37) HSP90AA1HSP90AB1HSP90B1TRAP1ALDH1A1
SCHEMBL6747334 0.76 MAPT (0.40) HSP90AA1HSP90AB1HSP90B1TRAP1ALDH1A1
SCHEMBL6746692 0.76 TSHR (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139968-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 CHRM4 4882/4885HSP90AA1 3/4885HSP90AB1 1/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 CHRM4 4882/4885HSP90AA1 3/4885HSP90AB1 1/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 CHRM4 4882/4885HSP90AA1 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.