SCHEMBL3380978

SCHEMBL3380978

CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(OS(=O)(=O)Oc2cc(OS)c(C(C)C)cc2C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)cc1OS

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 11/20 0.63
HSP90AA1 P07900 8/20 0.63
HSP90B1 P14625 1/20 0.63
SLC6A9 P48067 2/20 0.39
ROCK1 Q13464 2/20 0.38
ALK Q9UM73 2/20 0.37
ROCK2 O75116 2/20 0.36
NAMPT P43490 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3376947 0.90 HSP90AA1 (0.76) HSP90AB1HSP90AA1HSP90B1ALKHDAC3
SCHEMBL13309169 0.89 HSP90AB1 (0.66) HSP90AB1HSP90AA1HSP90B1SLC6A9ROCK1
SCHEMBL3377334 0.88 HSP90AA1 (0.76) HSP90AB1HSP90AA1HSP90B1ALKHDAC3
SCHEMBL1020564 0.85 HSP90AA1 (0.71) HSP90AB1HSP90AA1HSP90B1ROCK1ALK
SCHEMBL13309168 0.83 HSP90AA1 (0.75) HSP90AB1HSP90AA1HSP90B1ALKHDAC3
SCHEMBL1019460 0.83 HSP90AB1 (0.68) HSP90AB1HSP90AA1HSP90B1SLC6A9ROCK1
SCHEMBL1018434 0.82 HSP90AB1 (0.67) HSP90AB1HSP90AA1HSP90B1ROCK1ROCK2
SCHEMBL13309173 0.82 HSP90AA1 (0.75) HSP90AB1HSP90AA1HSP90B1ALKHDAC3
SCHEMBL1019255 0.81 HSP90AB1 (0.66) HSP90AB1HSP90AA1HSP90B1ROCK1ALK
SCHEMBL1018708 0.81 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1SLC6A9ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-06-17 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-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 HSP90AB1 4/4885HSP90AA1 7/4885HSP90B1 33/4885

“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.