SCHEMBL5028313

SCHEMBL5028313

CCCCOCCCOc1ccc(F)c(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LPL P06858 5/20 0.32
LIPG Q9Y5X9 5/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5019531 0.95 GAA (0.42) GAATDP1L3MBTL1LPLLIPG
SCHEMBL2679584 0.85 AR (0.35) GAATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL461639 0.85 ALDH1A1 (0.34) TDP1L3MBTL1LPLLIPGALDH1A1
SCHEMBL13073613 0.80 ALDH1A1 (0.39) GAATDP1L3MBTL1LPLLIPG
SCHEMBL15074985 0.76 ALDH1A1 (0.41) GAATDP1L3MBTL1LPLLIPG
SCHEMBL469425 0.76 ALDH1A1 (0.35) GAATDP1L3MBTL1LPLLIPG
SCHEMBL469553 0.76 GAA (0.46) GAATDP1L3MBTL1RARARARB
SCHEMBL17081762 0.75 LPL (0.44) LPLLIPGRARARARB
SCHEMBL469392 0.75 NPC1 (0.36) GAATDP1L3MBTL1LPLLIPG
SCHEMBL5019553 0.74 ALDH1A1 (0.43) GAATDP1L3MBTL1LPLLIPG

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 GAA 408/4885TDP1 2952/4885L3MBTL1 333/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX GAA 408/4885TDP1 2952/4885L3MBTL1 333/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX GAA 408/4885TDP1 2952/4885L3MBTL1 333/4885

“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.