SCHEMBL16472181

SCHEMBL16472181

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Oc2ccc3c(c2)COB3O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDE4A P27815 10/20 0.45
PDE4B Q07343 10/20 0.45
PDE4C Q08493 10/20 0.45
PDE4D Q08499 10/20 0.45
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL2530417 1.00 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL2526734 0.98 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL2532749 0.86 PDE4B (0.50) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL2527662 0.81 PDE4B (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL2531912 0.81 PDE4B (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL2526209 0.81 PDE4B (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL2528821 0.77 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL2531840 0.77 PDE4B (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL22163586 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL608156 0.76 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNANPSR1

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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 ALDH1A1 3761/4885MEN1 3737/4885KMT2A 4579/4885

“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.