SCHEMBL469424

SCHEMBL469424

CCCCOCCCOc1cc(Cl)cc(C=O)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
HTR2C P28335 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
EPAS1 Q99814 1/20 0.31
ALDH1A1 P00352 5/20 0.31
DRD2 P14416 1/20 0.30
HTR1D P28221 1/20 0.30
DRD3 P35462 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
PKM P14618 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
SCHEMBL454873 0.85 LMNA (0.41) ERN1GAAL3MBTL1EPAS1ALDH1A1
SCHEMBL452787 0.84 MEN1 (0.36) KDM4EDRD2DRD3MEN1KMT2A
SCHEMBL15358010 0.79 ERN1 (0.50) ERN1GAAKDM4ETDP1L3MBTL1
SCHEMBL5029726 0.78 GAA (0.40) GAAKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL18609925 0.76 DRD2 (0.35) GAATDP1L3MBTL1DRD2HTR1D
SCHEMBL5031350 0.76 ALDH1A1 (0.33) GAAKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL469429 0.75 ERN1 (0.56) ERN1GAAKDM4ETDP1L3MBTL1
SCHEMBL18609642 0.74 DRD2 (0.34) HTR2CGAATDP1L3MBTL1DRD2
SCHEMBL6270400 0.73 ERN1 (0.42) ERN1TDP1EPAS1ORAI1
SCHEMBL5019530 0.72 GAA (0.43) HTR2CGAAKDM4ETDP1L3MBTL1

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 ERN1 3162/4885HTR2C 4664/4885GAA 408/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885HTR2C 4664/4885GAA 408/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885HTR2C 4664/4885GAA 408/4885

“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.