SCHEMBL931373

SCHEMBL931373

COc1c(Cl)cccc1-n1c(S)nnc1-c1ccc(O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
HSP90AA1 P07900 4/20 0.43
GAA P10253 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PKM P14618 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 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
SCHEMBL932183 0.87 GAA (0.40) HSP90AA1GAAMAPTKDM4EL3MBTL1
SCHEMBL8930876 0.86 HSP90AA1 (0.46) HSP90AA1GAAMEN1KMT2AMAOA
SCHEMBL930811 0.84 HSP90AA1 (0.47) NOTUMHSP90AA1MAOAMAOBPDE2A
SCHEMBL930185 0.84 HSP90AA1 (0.58) NOTUMHSP90AA1MAOAMAOBPDE2A
SCHEMBL931653 0.81 GAA (0.45) HSP90AA1GAAMAPTKDM4EL3MBTL1
SCHEMBL931155 0.80 GAA (0.41) HSP90AA1GAAMAPTKDM4EL3MBTL1
SCHEMBL16754913 0.78 HSP90AA1 (0.41) HSP90AA1GAAMAPTKDM4EL3MBTL1
SCHEMBL931649 0.78 HSP90AA1 (0.46) HSP90AA1GAAPOLBMEN1KMT2A
SCHEMBL931880 0.78 HSP90AA1 (0.57) NOTUMHSP90AA1GAAMAOAMAOB
SCHEMBL8930317 0.77 GAA (0.42) HSP90AA1GAAMAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295416-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-16 EP claimed
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
US-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 US disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20140363830-A1 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2014-12-11 US disclosed
US-8901308-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-02 US disclosed
US-20130172333-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-07-04 US disclosed
US-8362055-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-20120330009-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2012-12-27 US disclosed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO disclosed
US-20110105749-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-05-05 US disclosed
EP-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP disclosed
EP-2295416-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-16 EP disclosed
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-01-13 US disclosed
US-7825148-B2 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 SYNTA PHARMACEUTICALS CORP. (US) 2010-11-02 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US 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 (9 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-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P NOTUM 2454/4885HSP90AA1 2/4885GAA 589/4885
US-20120330009-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 NOTUM 3888/4885HSP90AA1 3/4885GAA 1052/4885
US-20130172333-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P NOTUM 3051/4885HSP90AA1 2/4885GAA 543/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P NOTUM 4395/4885HSP90AA1 2/4885GAA 1169/4885
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 NOTUM 3952/4885HSP90AA1 3/4885GAA 803/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P NOTUM 3051/4885HSP90AA1 2/4885GAA 543/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 NOTUM 3362/4885HSP90AA1 4/4885GAA 720/4885
US-20110105749-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 NOTUM 3888/4885HSP90AA1 3/4885GAA 1052/4885
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 NOTUM 3702/4885HSP90AA1 3/4885GAA 2305/4885

“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.