SCHEMBL456781

SCHEMBL456781

O=Cc1cccc(OCCCCNC(=O)O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 8/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL456650 0.96 PTGDR2 (0.46) MTNR1APTGDR2ALDH1A1HPGDHTT
SCHEMBL453828 0.83 CA12 (0.47) MTNR1AKDM4E
SCHEMBL3446213 0.80 HTT (0.52) PTGDR2HTTSMN1; SMN2KMT2AMEN1
SCHEMBL454460 0.79 CA12 (0.46) MTNR1AKDM4E
SCHEMBL661870 0.79 PTGDR2 (0.54) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5019543 0.77 ALDH1A1 (0.51) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL16706950 0.77 MAPT (0.46) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1498464 0.77 ALDH1A1 (0.55) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5809375 0.76 ALDH1A1 (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4350483 0.76 PTGDR2 (0.71) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2

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 12 patents. 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
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 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
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-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
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 MTNR1A 3597/4885PTGDR2 3080/4885ALDH1A1 4256/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX MTNR1A 3597/4885PTGDR2 3080/4885ALDH1A1 4256/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX MTNR1A 3597/4885PTGDR2 3080/4885ALDH1A1 4256/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX MTNR1A 3597/4885PTGDR2 3080/4885ALDH1A1 4256/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX MTNR1A 3597/4885PTGDR2 3080/4885ALDH1A1 4256/4885

“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.