SCHEMBL455552

SCHEMBL455552

O=Cc1c(F)ccc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.47
PADI4 Q9UM07 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1804679 0.86 ERN1 (0.56) ERN1PADI4
SCHEMBL29952205 0.86 ERN1 (0.56) ERN1PADI4
SCHEMBL415661 0.82 ERN1 (0.42) ERN1PADI4KDM4EPTGS2RAB9A
SCHEMBL30884654 0.82 ERN1 (0.52) ERN1PADI4KDM4EPTGS2RAB9A
SCHEMBL27188680 0.82 ERN1 (0.52) ERN1PADI4KDM4EPTGS2RAB9A
SCHEMBL29459661 0.80 ERN1 (0.50) ERN1PADI4KDM4EPTGS2RAB9A
SCHEMBL1002739 0.80 ERN1 (0.50) ERN1PADI4KDM4EPTGS2RAB9A
SCHEMBL2252231 0.78 ERN1 (0.44) ERN1KDM4EPTGS2RAB9A
SCHEMBL22445291 0.78 ERN1 (0.41) ERN1PADI4KDM4EPTGS2RAB9A
SCHEMBL30100079 0.78 ERN1 (0.46) ERN1PADI4

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 28 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-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 (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 ERN1 3162/4885PADI4 2286/4885KDM4E 2938/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885PADI4 2286/4885KDM4E 2938/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885PADI4 2286/4885KDM4E 2938/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885PADI4 2286/4885KDM4E 2938/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ERN1 3162/4885PADI4 2286/4885KDM4E 2938/4885

“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.