SCHEMBL930607

SCHEMBL930607

CCc1cc(-c2nnc(S)n2-c2cccc3c(OC)cccc23)c(O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALOX12 P18054 2/20 0.33
ALOX15 P16050 2/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL930136 0.94 MEN1 (0.36) L3MBTL1ATP4AATP4BALDH1A1TSHR
SCHEMBL13639239 0.89 MEN1 (0.36) L3MBTL1ATP4AATP4BALDH1A1TSHR
SCHEMBL931450 0.88 ESR1 (0.36) HSP90AA1HSP90AB1KMT2AMEN1ALOX12
SCHEMBL931385 0.85 HSP90AA1 (0.37) ALDH1A1HSP90AA1HSP90AB1GAALMNA
SCHEMBL977297 0.83 IDH1 (0.38) HSP90AA1HSP90AB1KMT2AMEN1CNR2
SCHEMBL931155 0.83 GAA (0.41) L3MBTL1ATP4AATP4BALDH1A1TSHR
SCHEMBL13099831 0.82 HSP90AA1 (0.35) L3MBTL1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL977473 0.82 MEN1 (0.35) ALDH1A1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL930886 0.80 MEN1 (0.33) L3MBTL1ALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL421149 0.80 MEN1 (0.32) ATP4AATP4BALDH1A1KMT2AMEN1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US claimed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO claimed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139960-A2 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-07-27 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 (5 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-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 L3MBTL1 2439/4885ATP4A 1219/4885ATP4B 2298/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P L3MBTL1 3838/4885ATP4A 1513/4885ATP4B 1356/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 L3MBTL1 3087/4885ATP4A 1599/4885ATP4B 1692/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 L3MBTL1 2277/4885ATP4A 753/4885ATP4B 1866/4885
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer HSP90AB1, HSP90AB2P, HSP90AA1 L3MBTL1 2371/4885ATP4A 1430/4885ATP4B 2109/4885

“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.