SCHEMBL566170

SCHEMBL566170

Cc1cc(OC2CCCCO2)cc(CO)c1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
PDE4B Q07343 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
TNK2 Q07912 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
Phenol SCHEMBL566141 0.91 DHFR (0.36) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL566138 0.88 DHFR (0.36) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL563008 0.86 HSD11B1 (0.38) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL566089 0.86 KDM4C (0.36) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL566217 0.83 PTPN1 (0.35) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL565682 0.78 DHFR (0.40) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL23907118 0.78 HSD11B1 (0.38) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL562593 0.76 CD274 (0.40) DHFRHSD11B1MEN1KMT2AKDM4C
SCHEMBL23907104 0.76 DHFR (0.37) DHFRHSD11B1MEN1KMT2APTPN1
SCHEMBL5145220 0.75 DHFR (0.44) DHFRHSD11B1MEN1KMT2APTPN1

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 DHFR 3087/4885HSD11B1 1932/4885MEN1 1067/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 DHFR 3087/4885HSD11B1 1932/4885MEN1 1067/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 DHFR 3087/4885HSD11B1 1932/4885MEN1 1067/4885

“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.