Sugi Predict

Sugi Predict / Compounds / SCHEMBL453233

SCHEMBL453233

SCHEMBL453233

CCOc1cccc(C=O)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ TLR2 O60603 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ TLR1 Q15399 1/20 0.43
▸ TLR6 Q9Y2C9 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ AR P10275 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15077481 0.86 ALDH1A1 (0.55) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL5019551 0.85 ALDH1A1 (0.53) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL5019543 0.83 ALDH1A1 (0.51) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL13035548 0.83 ALDH1A1 (0.46) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL3445745 0.83 LMNA (0.43) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL16958165 0.82 HPGD (0.47) LMNAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL16961822 0.82 HPGD (0.47) LMNAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL13035496 0.82 USP2 (0.58) LMNAALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL535646 0.81 ALDH1A1 (0.73) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL31401930 0.81 ALDH1A1 (0.73) LMNAALDH1A1HPGDSMN1; SMN2HTT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251678-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2021-10-20 — — EP disclosed
EP-3251678-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2021-10-20 — — EP disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
CN-108610356-B Benzoxaborole derivatives for the treatment of bacterial infections 阿纳科制药公司 2021-02-26 — — CN disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 — — US disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 — — US disclosed
CN-108610356-A Benzoxaborole heterocyclic pentylene derivative is for treating bacterium infection 阿纳科制药公司 2018-10-02 — — CN disclosed
US-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 — — US disclosed
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 — — US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-8703742-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-04-22 — — US disclosed
EP-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 — — EP disclosed
CN-103140228-A Benzoxaborole derivatives for the treatment of bacterial infections ANACOR PHARMACEUTICALS INC 2013-06-05 — — CN disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 — — 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
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 (6 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-11008345-B2 Boron-containing small molecules BCL6B, BTD, BROX LMNA 3088/4885ALDH1A1 4256/4885HPGD 4201/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LMNA 3088/4885ALDH1A1 4256/4885HPGD 4201/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LMNA 3088/4885ALDH1A1 4256/4885HPGD 4201/4885
US-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 LMNA 4338/4885ALDH1A1 4676/4885HPGD 4048/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LMNA 3088/4885ALDH1A1 4256/4885HPGD 4201/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LMNA 3088/4885ALDH1A1 4256/4885HPGD 4201/4885

“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.