SCHEMBL456650

SCHEMBL456650

O=Cc1cccc(OCCCNC(=O)O)c1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
MTNR1A P48039 3/20 0.43
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAD52 P43351 1/20 0.40
HRH1 P35367 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL456781 0.96 MTNR1A (0.44) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3446213 0.83 HTT (0.52) PTGDR2SMN1; SMN2HTTKDM4EMEN1
SCHEMBL454460 0.83 CA12 (0.46) MTNR1AKDM4EL3MBTL1TDP1
SCHEMBL661870 0.80 PTGDR2 (0.54) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL453828 0.79 CA12 (0.47) MTNR1AKDM4EL3MBTL1TDP1
SCHEMBL16706950 0.78 MAPT (0.46) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1498464 0.78 ALDH1A1 (0.55) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL4350483 0.77 PTGDR2 (0.71) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL5019551 0.77 ALDH1A1 (0.53) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3446803 0.76 USP2 (0.45) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT

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 PTGDR2 3080/4885ALDH1A1 4256/4885SMN1; SMN2 4062/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX PTGDR2 3080/4885ALDH1A1 4256/4885SMN1; SMN2 4062/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX PTGDR2 3080/4885ALDH1A1 4256/4885SMN1; SMN2 4062/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX PTGDR2 3080/4885ALDH1A1 4256/4885SMN1; SMN2 4062/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX PTGDR2 3080/4885ALDH1A1 4256/4885SMN1; SMN2 4062/4885

“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.