SCHEMBL6747142

SCHEMBL6747142

COc1cc(Cn2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)ccc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.43
RECQL P46063 1/20 0.42
HSP90AA1 P07900 4/20 0.38
HSP90AB1 P08238 4/20 0.38
PDE4A P27815 6/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL6746906 0.91 PDE4B (0.42) PDE4BRECQLHSP90AA1HSP90AB1PDE4A
SCHEMBL3992440 0.88 HSP90AA1 (0.47) HSP90AA1HSP90AB1SIGMAR1KDM4EMAPK1
SCHEMBL3921018 0.88 PDE4B (0.44) PDE4BRECQLHSP90AA1PDE4APDE4C
SCHEMBL3989882 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL3990285 0.80 HSP90AA1 (0.42) RECQLHSP90AA1HSP90AB1HDAC1HDAC2
SCHEMBL6747515 0.80 POLB (0.39) PDE4BRECQLHSP90AA1HSP90AB1PDE4A
SCHEMBL6747311 0.80 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL3919259 0.80 PDE4B (0.43) PDE4BRECQLHSP90AA1PDE4APDE4C
SCHEMBL3998270 0.79 HSP90AA1 (0.45) RECQLHSP90AA1HSP90AB1KDM4E
SCHEMBL6747604 0.79 HSP90AA1 (0.39) PDE4BHSP90AA1HSP90AB1PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (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-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 PDE4B 1883/4885RECQL 703/4885HSP90AA1 3/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PDE4B 1883/4885RECQL 703/4885HSP90AA1 3/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PDE4B 1883/4885RECQL 703/4885HSP90AA1 3/4885

“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.