SCHEMBL382495

SCHEMBL382495

CC(C)c1cc(C(=O)N2Cc3ccc(OCCN(C)C)cc3C2)c(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 7/20 0.67
TRAP1 Q12931 6/20 0.67
HSP90AA1 P07900 13/20 0.61
HSP90AB1 P08238 4/20 0.60
MGLL Q99685 1/20 0.55
ABHD6 Q9BV23 1/20 0.55
HDAC8 Q9BY41 6/20 0.54
HDAC3 O15379 6/20 0.52
HDAC1 Q13547 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52

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
SCHEMBL12572449 0.89 HSP90AA1 (0.64) HSP90B1TRAP1HSP90AA1HSP90AB1HDAC8
SCHEMBL382696 0.88 HSP90AA1 (0.63) HSP90B1TRAP1HSP90AA1HSP90AB1HDAC8
SCHEMBL12802840 0.88 HSP90AA1 (0.63) HSP90B1TRAP1HSP90AA1HSP90AB1HDAC8
SCHEMBL384542 0.88 HSP90AA1 (0.63) HSP90B1HSP90AA1HSP90AB1HDAC8HDAC3
SCHEMBL3766601 0.88 TRAP1 (0.81) HSP90B1TRAP1HSP90AA1HSP90AB1MGLL
SCHEMBL384821 0.87 HSP90AA1 (0.61) HSP90B1TRAP1HSP90AA1HSP90AB1HDAC8
SCHEMBL380889 0.86 HSP90AA1 (0.59) HSP90B1TRAP1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL383284 0.86 HSP90AA1 (0.60) HSP90B1TRAP1HSP90AA1HSP90AB1HDAC8
SCHEMBL12572459 0.86 HSP90AA1 (0.60) HSP90B1TRAP1HSP90AA1HSP90AB1HDAC8
SCHEMBL383259 0.85 HSP90AA1 (0.59) HSP90B1TRAP1HSP90AA1HSP90AB1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP claimed
EP-2332909-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2014-10-15 EP claimed
US-8530469-B2 Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2013-09-10 US claimed
EP-1877379-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2013-01-16 EP claimed
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2012-10-04 US claimed
US-8277807-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2012-10-02 US claimed
EP-2332909-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 Astex Therapeutics Limited (GB) 2011-06-15 EP claimed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 US claimed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US claimed
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 US claimed
EP-2073802-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
EP-2073804-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
EP-2073803-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
WO-2008044029-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO claimed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO claimed
WO-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO claimed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO claimed
EP-1877379-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-01-16 EP claimed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US claimed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 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 (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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P HSP90B1 12/4885TRAP1 14/4885HSP90AA1 1/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 HSP90B1 11/4885TRAP1 9/4885HSP90AA1 2/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A HSP90B1 86/4885TRAP1 1626/4885HSP90AA1 105/4885
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 HSP90B1 63/4885TRAP1 1449/4885HSP90AA1 68/4885
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HSP90B1 5/4885TRAP1 26/4885HSP90AA1 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.