Sugi Predict

Sugi Predict / Compounds / SCHEMBL3701853

SCHEMBL3701853

SCHEMBL3701853

COC1Cc2ccc(-n3c(-c4cc(CCc5ccc(F)cc5)c(O)cc4O)n[nH]c3=S)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.41
▸ GAA P10253 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ HSP90AB1 P08238 3/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ GFER P55789 2/20 0.34
▸ PRNP P04156 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL3703071 0.83 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL4566871 0.79 HSP90AB1 (0.55) HSP90AA1ALDH1A1TDP1KDM4EHPGD
SCHEMBL4566889 0.77 KDM4E (0.39) HSP90AA1GAAPOLBALDH1A1TDP1
SCHEMBL1868161 0.75 GAA (0.40) HSP90AA1GAAPOLBALDH1A1KDM4E
SCHEMBL12046737 0.73 HSP90AA1 (0.42) HSP90AA1GAAPOLBALDH1A1TDP1
SCHEMBL4566896 0.72 HSP90AB1 (0.51) HSP90AA1ALDH1A1TDP1KDM4EHPGD
SCHEMBL4566875 0.72 HSP90AB1 (0.53) HSP90AA1ALDH1A1TDP1KDM4EHPGD
SCHEMBL4566880 0.71 HSP90AB1 (0.51) HSP90AA1ALDH1A1TDP1KDM4EHPGD
SCHEMBL4566975 0.70 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL4566862 0.69 HSP90AA1 (0.42) HSP90AA1GAAPOLBALDH1A1TDP1

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 18 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-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-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-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-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 — — US disclosed
EP-2034996-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-03-18 — — EP 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
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
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 — — WO disclosed
WO-2007139955-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-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, CDC37 HSP90AA1 4/4885GAA 825/4885POLB 2404/4885
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 2/4885GAA 2908/4885POLB 2825/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885GAA 1052/4885POLB 1635/4885

“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.