SCHEMBL6746780

SCHEMBL6746780

COc1ccc(Cn2c(S)nnc2-c2cc(C(C)C)c(O)cc2O)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.43
HSP90AB1 P08238 13/20 0.43
ERCC5 P28715 1/20 0.36
TSPO P30536 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TLR7 Q9NYK1 2/20 0.34
DAO P14920 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL3992540 0.87 GRIN1 (0.38) HSP90AA1HSP90AB1ERCC5TSPOTHRA
SCHEMBL6746783 0.85 HSP90AA1 (0.40) HSP90AA1HSP90AB1THRATHRB
SCHEMBL6746678 0.85 HSP90AA1 (0.56) HSP90AA1HSP90AB1THRATHRBHSP90B1
SCHEMBL14342417 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1THRATHRBHSP90B1
SCHEMBL6746782 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1THRATHRB
SCHEMBL6746905 0.83 HSP90AA1 (0.46) HSP90AA1HSP90AB1THRATHRBHSP90B1
SCHEMBL6746760 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1THRATHRBHSP90B1
SCHEMBL6747077 0.82 HSP90AA1 (0.39) HSP90AA1HSP90AB1THRATHRB
SCHEMBL6746705 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL6747081 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1THRATHRBHSP90B1

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
EP-2038262-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-11-12 EP disclosed
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-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 HSP90AA1 3/4885HSP90AB1 1/4885ERCC5 1030/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ERCC5 1030/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ERCC5 1030/4885

“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.