SCHEMBL443458

SCHEMBL443458

COC(C)n1ccc2c(-n3c(S)nnc3-c3ccc(O)cc3O)cccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.33
HSD11B1 P28845 1/20 0.31
HSP90AB1 P08238 1/20 0.30
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL420960 0.90 HSP90AA1 (0.35) HSP90AA1HSD11B1
SCHEMBL419087 0.80 HSP90AA1 (0.38) HSP90AA1HSD11B1HSP90AB1
SCHEMBL420051 0.80 HSP90AA1 (0.37) HSP90AA1HSD11B1HSP90AB1GAA
SCHEMBL442579 0.79 HSP90AA1 (0.38) HSP90AA1HSD11B1HSP90AB1
SCHEMBL419121 0.78 HSP90AA1 (0.35) HSP90AA1HSD11B1KMT2A
SCHEMBL931155 0.76 GAA (0.41) HSP90AA1HSP90AB1GAAMEN1POLB
SCHEMBL443459 0.76 GAA (0.34) HSP90AA1HSP90AB1GAAKDM4EMAPT
SCHEMBL931796 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1GAAMEN1POLB
SCHEMBL16754913 0.75 HSP90AA1 (0.41) HSP90AA1GAAMEN1POLBKMT2A
SCHEMBL420062 0.74 KDM4E (0.35) HSP90AA1HSP90AB1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 US claimed
US-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2015-04-09 US claimed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US claimed
EP-2849751-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2015-03-25 EP claimed
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-07-10 US claimed
EP-2678014-A2 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2014-01-01 EP claimed
EP-2663305-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS Synta Pharmaceuticals Corp. (US) 2013-11-20 EP claimed
WO-2013170159-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 WO claimed
EP-2648708-A2 COMBINATION FOR BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2013-10-16 EP claimed
EP-2616063-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS Synta Pharmaceuticals Corp. (US) 2013-07-24 EP claimed
US-8034834-B2 Method for treating proliferative disorders with HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2011-10-11 US claimed
WO-2011049946-A1 COMBINATION CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-04-28 WO claimed
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 claimed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US claimed
EP-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
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 claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS ROS1, RET, HSP90AB1 HSP90AA1 4/4885HSD11B1 1155/4885HSP90AB1 3/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSD11B1 1108/4885HSP90AB1 1/4885
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSD11B1 1108/4885HSP90AB1 1/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSD11B1 3353/4885HSP90AB1 1/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSD11B1 555/4885HSP90AB1 1/4885
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 HSP90AA1 3/4885HSD11B1 962/4885HSP90AB1 1/4885

“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.