SCHEMBL566142

SCHEMBL566142

Cc1cc(OC2CCCCO2)cc(C(O)c2ccc(O)cc2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
PTPN1 P18031 3/20 0.34
SLC6A3 Q01959 6/20 0.33
DHFR P00374 1/20 0.30

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
SCHEMBL563008 0.79 HSD11B1 (0.38) HSD11B1PTPN1SLC6A3DHFR
Phenol SCHEMBL566141 0.74 DHFR (0.36) HSD11B1PTPN1SLC6A3DHFR
SCHEMBL23907118 0.73 HSD11B1 (0.38) HSD11B1PTPN1SLC6A3DHFR
SCHEMBL14366810 0.73 HSD11B1 (0.39) HSD11B1PTPN1SLC6A3DHFR
SCHEMBL566170 0.72 DHFR (0.36) HSD11B1PTPN1DHFR
SCHEMBL15093959 0.72 MEN1 (0.43) HSD11B1PTPN1DHFR
SCHEMBL222919 0.72 MEN1 (0.43) HSD11B1PTPN1DHFR
SCHEMBL15093765 0.72 MEN1 (0.43) HSD11B1PTPN1DHFR
SCHEMBL566089 0.71 KDM4C (0.36) HSD11B1PTPN1DHFR
SCHEMBL16055037 0.71 HSD11B1 (0.41) HSD11B1PTPN1DHFR

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 1932/4885PTPN1 2022/4885SLC6A3 3102/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HSD11B1 1932/4885PTPN1 2022/4885SLC6A3 3102/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HSD11B1 1932/4885PTPN1 2022/4885SLC6A3 3102/4885

“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.