SCHEMBL4949578

SCHEMBL4949578

CCc1cc(-c2c[nH]c(=O)n2-c2cccc3ccccc23)c(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
GAA P10253 4/20 0.38
NPEPPS P55786 1/20 0.38
ITGA4 P13612 2/20 0.37
ITGB7 P26010 2/20 0.37
ELANE P08246 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
POLB P06746 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
DAO P14920 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HTR7 P34969 1/20 0.34
LMNA P02545 1/20 0.34
PAX8 Q06710 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
SCHEMBL14525271 0.82 L3MBTL1 (0.38) NPEPPSELANETDP1GSK3AGSK3B
SCHEMBL17166185 0.82 L3MBTL1 (0.36) HSP90AA1GAAITGA4ITGB7ELANE
SCHEMBL1149708 0.79 HSP90AA1 (0.38) HSP90AA1GAAELANETDP1GSK3A
SCHEMBL12045810 0.79 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL13983472 0.75 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL930746 0.74 HSP90AA1 (0.38) HSP90AA1GAAELANEHSP90AB1HCAR1
SCHEMBL7004515 0.74 SIRT2 (0.43) GAAITGA4ITGB7TDP1GSK3A
SCHEMBL8931037 0.73 HSP90AA1 (0.46) HSP90AA1GAATDP1HSP90AB1HCAR1
SCHEMBL8930611 0.73 HSP90AA1 (0.61) HSP90AA1GAATDP1POLBHSP90AB1
SCHEMBL930712 0.73 HCAR1 (0.37) HSP90AA1GAAELANEHSP90AB1HCAR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
EP-1951679-B1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-02-18 EP disclosed
EP-1951679-B1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-02-18 EP disclosed
US-8629285-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-01-14 US disclosed
US-8629285-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-01-14 US disclosed
US-8629285-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-01-14 US disclosed
EP-1951679-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2008-08-06 EP disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
WO-2007021877-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 WO disclosed
WO-2007021877-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 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 (2 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-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885GAA 1026/4885NPEPPS 2433/4885
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885GAA 1026/4885NPEPPS 2433/4885

“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.