SCHEMBL469396

SCHEMBL469396

CCCCOCCCOc1c(OC)ccc2c1B(O)OC2C[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 4/20 0.35
LARS1 Q9P2J5 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL469251 0.88 LMNA (0.33) LMNA
SCHEMBL461504 0.87 LARS1 (0.39) MAPTSMN1; SMN2HPGDLARS1KDM4E
SCHEMBL13073614 0.85 TP53 (0.33) LMNAHPGDCNR2LARS1KDM4E
SCHEMBL13074078 0.85 TP53 (0.33) LMNAHPGDCNR2LARS1KDM4E
SCHEMBL13073748 0.85 TP53 (0.33) LMNAHPGDCNR2LARS1KDM4E
SCHEMBL15075004 0.82 ALDH1A1 (0.37) SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL16706966 0.80 TP53 (0.35) HPGDLARS1KDM4EALDH1A1
SCHEMBL5019552 0.80 TP53 (0.35) HPGDLARS1KDM4EALDH1A1
SCHEMBL16706967 0.80 TP53 (0.35) HPGDLARS1KDM4EALDH1A1
SCHEMBL13073689 0.80 PLA2G4B (0.32) LARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 US disclosed
EP-3251678-A1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Anacor Pharmaceuticals, Inc. (US) 2017-12-06 EP disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
EP-2613788-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2017-06-21 EP disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 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 (3 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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX MAPT 2926/4885SMN1; SMN2 4062/4885LMNA 3088/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX MAPT 2926/4885SMN1; SMN2 4062/4885LMNA 3088/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX MAPT 2926/4885SMN1; SMN2 4062/4885LMNA 3088/4885

“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.