SCHEMBL12572449

SCHEMBL12572449

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.64
HSP90AB1 P08238 8/20 0.64
HSP90B1 P14625 4/20 0.58
HDAC8 Q9BY41 8/20 0.56
HDAC3 O15379 8/20 0.55
HDAC6 Q9UBN7 8/20 0.55
HDAC1 Q13547 7/20 0.55
HDAC4 P56524 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
TRAP1 Q12931 2/20 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
SCHEMBL382696 0.91 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL384542 0.91 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL12802840 0.91 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL384821 0.90 HSP90AA1 (0.61) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL12572459 0.89 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Hydrochloric Acid SCHEMBL383284 0.89 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL382495 0.89 HSP90B1 (0.67) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL383259 0.88 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL12572543 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL383886 0.85 HSP90AA1 (0.71) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332909-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 Astex Therapeutics Limited (GB) 2011-06-15 EP disclosed
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 CHESSARI GIANNI 2010-08-26 US disclosed
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 CHESSARI GIANNI 2010-08-26 US disclosed
WO-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 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 (1 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-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HSP90B1 5/4885

“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.