Sugi Predict

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SCHEMBL453962

SCHEMBL453962

CCOc1ccc(F)c(C=O)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ FABP4 P15090 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TACR2 P21452 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
SCHEMBL5019530 0.88 GAA (0.43) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL5029726 0.84 GAA (0.40) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL452291 0.78 LMNA (0.34) HTTTUBB1POLBALDH1A1LMNA
SCHEMBL3446390 0.78 LMNA (0.40) HTTALDH1A1LMNAHPGD
SCHEMBL453452 0.78 AR (0.37) MAPT
SCHEMBL2001231 0.74 GAA (0.53) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL454873 0.74 LMNA (0.41) HTTPOLBCYP2C19ALDH1A1LMNA
SCHEMBL6907326 0.72 TACR2 (0.43) HTTTUBB1CYP3A4CYP2C9CYP2C19
SCHEMBL453334 0.72 ALDH1A1 (0.45) HTTTUBB1CYP3A4CYP2C9CYP2C19
SCHEMBL28863798 0.72 LMNA (0.36) HTTPOLBALDH1A1MAPTLMNA

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 27 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
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 — — US disclosed
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 — — 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-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
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 (5 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 HTT 3736/4885TUBB1 655/4885POLB 517/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTT 3736/4885TUBB1 655/4885POLB 517/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTT 3736/4885TUBB1 655/4885POLB 517/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTT 3736/4885TUBB1 655/4885POLB 517/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTT 3736/4885TUBB1 655/4885POLB 517/4885

“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.