SCHEMBL3489490

SCHEMBL3489490

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.50
CYP2C9 P11712 1/20 0.50
USP30 Q70CQ3 3/20 0.48
PARP1 P09874 1/20 0.47
NAMPT P43490 1/20 0.44
CTSK P43235 2/20 0.44
KCNA3 P22001 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL29860886 0.94 CA1 (0.52) HSD11B1CYP2C9USP30PARP1CA1
SCHEMBL29123195 0.94 CA1 (0.52) HSD11B1CYP2C9USP30PARP1CA1
SCHEMBL2952653 0.94 CA1 (0.52) HSD11B1CYP2C9USP30PARP1CA1
SCHEMBL30349744 0.93 USP30 (0.52) HSD11B1CYP2C9USP30PARP1BRD4
SCHEMBL14428332 0.89 KMT2A (0.44) HSD11B1CYP2C9
SCHEMBL6010052 0.87 USP30 (0.54) USP30PARP1CA1CA2BRD4
SCHEMBL29641323 0.87 KCNA3 (0.44) HSD11B1CYP2C9PARP1CTSKKCNA3
SCHEMBL30171776 0.86 BACE1 (0.49) USP30PARP1CA1CA2
SCHEMBL17997424 0.86 BACE1 (0.49) USP30PARP1CA1CA2
SCHEMBL29625116 0.86 BACE1 (0.49) USP30PARP1CA1CA2

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-20100087466-A1 NOVEL SMALL MOLECULE DNAK INHIBITORS CHAPERONE TECHNOLOGIES, INC. 2010-04-08 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-20100087466-A1 NOVEL SMALL MOLECULE DNAK INHIBITORS HSP90AB2P, HSPH1, HSP90AB1 HSD11B1 3392/4885CYP2C9 4500/4885USP30 1492/4885

“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.