SCHEMBL4566924

SCHEMBL4566924

CCc1cc(-c2n[nH]c(=S)n2-c2ccc3[nH]c(C)nc3c2)c(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 3/20 0.46
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
GLA P06280 1/20 0.39
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
GAA P10253 3/20 0.37
PAX8 Q06710 1/20 0.37
PARP1 P09874 1/20 0.37
GFER P55789 3/20 0.36
POLB P06746 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL15474396 0.92 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL8931385 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL12694835 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL419816 0.82 MEN1 (0.53) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL16604232 0.82 HSP90AA1 (0.51) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL13983500 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL421407 0.81 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL8931406 0.81 RPA1 (0.42) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL3701216 0.80 MAPT (0.35) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL4566928 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD

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 1/4885KDM4E 2810/4885
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 1/4885KDM4E 3492/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885KDM4E 3468/4885

“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.