SCHEMBL5090797

SCHEMBL5090797

COc1ccc(Cn2c(S)nnc2-c2ccc(O)c(C(C)C)c2)cc1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
THRA P10827 11/20 0.36
THRB P10828 11/20 0.36
HSP90AA1 P07900 2/20 0.34
MAPT P10636 2/20 0.34
HSP90AB1 P08238 1/20 0.34
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6746766 0.88 HSP90AA1 (0.45) KDM4EGAATHRATHRBHSP90AA1
SCHEMBL3916120 0.83 KDM4E (0.40) KDM4EGAATHRATHRBHSP90AA1
SCHEMBL3922200 0.83 HSP90AA1 (0.44) KDM4EGAATHRATHRBHSP90AA1
SCHEMBL5103376 0.83 HSP90AA1 (0.45) KDM4EGAATHRATHRBHSP90AA1
SCHEMBL3919259 0.81 PDE4B (0.43) KDM4EGAAHSP90AA1
SCHEMBL3920824 0.81 THRB (0.39) KDM4EGAATHRATHRBHSP90AA1
SCHEMBL3994592 0.81 THRA (0.40) KDM4EGAATHRATHRBHSP90AA1
SCHEMBL3920979 0.80 HSP90AA1 (0.38) THRATHRBHSP90AA1MAPTHSP90AB1
SCHEMBL3992540 0.80 GRIN1 (0.38) KDM4EGAATHRATHRBHSP90AA1
SCHEMBL3919089 0.79 THRB (0.43) GAATHRATHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US claimed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US claimed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US claimed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US claimed
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-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

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 KDM4E 3468/4885GAA 1052/4885THRA 3795/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 KDM4E 3468/4885GAA 1052/4885THRA 3795/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 KDM4E 3468/4885GAA 1052/4885THRA 3795/4885

“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.