SCHEMBL384821

SCHEMBL384821

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.61
HSP90AB1 P08238 8/20 0.61
HSP90B1 P14625 4/20 0.56
HDAC3 O15379 8/20 0.55
HDAC6 Q9UBN7 8/20 0.55
HDAC8 Q9BY41 8/20 0.55
HDAC1 Q13547 7/20 0.55
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC10 Q969S8 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
TRAP1 Q12931 1/20 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
Hydrochloric Acid SCHEMBL383284 0.99 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL382696 0.95 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL12572449 0.90 HSP90AA1 (0.64) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL12802840 0.89 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL384542 0.89 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL12572459 0.87 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL382495 0.87 HSP90B1 (0.67) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL12572543 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL383259 0.86 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6
SCHEMBL16168764 0.85 HSP90AA1 (0.50) HSP90AA1HSP90AB1HSP90B1HDAC3HDAC6

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 117 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
CN-101193862-B Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD 2013-08-21 CN claimed
EP-1877379-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2013-01-16 EP 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-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 US claimed
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US claimed
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-03 US claimed
EP-2073802-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
EP-2073807-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
EP-2073803-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
CN-101193862-A Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD (GB) 2008-06-04 CN claimed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO claimed
WO-2008044029-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
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
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 disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 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 (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-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 HSP90AA1 2/4885HSP90AB1 3/4885HSP90B1 11/4885
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS HSP90AB1, HEATR6, HEATR1 HSP90AA1 4/4885HSP90AB1 1/4885HSP90B1 7/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A HSP90AA1 105/4885HSP90AB1 49/4885HSP90B1 86/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S HSP90AA1 3726/4885HSP90AB1 4036/4885HSP90B1 3671/4885
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 HSP90AA1 68/4885HSP90AB1 23/4885HSP90B1 63/4885

“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.