SCHEMBL566012

SCHEMBL566012

O=Cc1cc(OC2CCCCO2)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
DHFR P00374 1/20 0.37
POLB P06746 1/20 0.37
TNK2 Q07912 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32

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
SCHEMBL29516677 0.84 ERN1 (0.48) HSD11B1DHFRTNK2MEN1KMT2A
SCHEMBL4852577 0.84 ERN1 (0.48) HSD11B1DHFRTNK2MEN1KMT2A
SCHEMBL24373490 0.84 ALDH1A1 (0.39) HSD11B1DHFRTNK2MEN1KMT2A
SCHEMBL30918744 0.82 ALDH1A1 (0.40) HSD11B1DHFRTNK2MEN1KMT2A
SCHEMBL5863927 0.81 HPGD (0.40) HSD11B1DHFRTNK2MEN1KMT2A
SCHEMBL1134318 0.81 TYR (0.48) HSD11B1DHFRPOLBTNK2MEN1
SCHEMBL29653682 0.81 TYR (0.48) HSD11B1DHFRPOLBTNK2MEN1
SCHEMBL1755976 0.80 HSD11B1 (0.41) HSD11B1DHFRTNK2MEN1KMT2A
SCHEMBL20520337 0.80 HPGD (0.39) HSD11B1DHFRPOLBMEN1KMT2A
SCHEMBL28386587 0.80 ERN1 (0.49) HSD11B1KDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HSD11B1 1932/4885DHFR 3087/4885POLB 2278/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HSD11B1 1932/4885DHFR 3087/4885POLB 2278/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HSD11B1 1932/4885DHFR 3087/4885POLB 2278/4885

“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.