SCHEMBL1879756

SCHEMBL1879756

CC(C)c1cc(C(=O)N2Cc3ccc(N4CCC(C(C)C)CC4)cc3C2)c(O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.61
HSP90AB1 P08238 9/20 0.61
HDAC8 Q9BY41 8/20 0.58
HDAC3 O15379 8/20 0.58
HDAC6 Q9UBN7 8/20 0.58
HDAC1 Q13547 7/20 0.58
HSP90B1 P14625 2/20 0.56
HDAC4 P56524 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50

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
SCHEMBL383880 0.87 HSP90AA1 (0.69) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
SCHEMBL383545 0.87 HSP90AA1 (0.61) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
Hydrochloric Acid SCHEMBL3380967 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
Hydrochloric Acid SCHEMBL384267 0.86 HSP90AA1 (0.60) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
SCHEMBL14223108 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
SCHEMBL383696 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
SCHEMBL382952 0.85 HSP90AA1 (0.64) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
SCHEMBL383822 0.85 HSP90AA1 (0.65) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
SCHEMBL382815 0.85 HSP90AA1 (0.64) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6
SCHEMBL383403 0.83 HSP90AA1 (0.66) HSP90AA1HSP90AB1HDAC8HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 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 (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-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A HSP90AA1 105/4885HSP90AB1 49/4885HDAC8 363/4885

“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.