SCHEMBL566138

SCHEMBL566138

Cc1cc(OC2CCCCO2)cc(CBr)c1Br

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
HSD11B1 P28845 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTPN1 P18031 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL565682 0.90 DHFR (0.40) DHFRHSD11B1KDM4CNPC1RAB9A
SCHEMBL566170 0.88 DHFR (0.36) DHFRHSD11B1KDM4CNPC1RAB9A
SCHEMBL563008 0.87 HSD11B1 (0.38) DHFRHSD11B1KDM4CNPC1RAB9A
SCHEMBL566089 0.87 KDM4C (0.36) DHFRHSD11B1KDM4CNPC1RAB9A
SCHEMBL566217 0.82 PTPN1 (0.35) DHFRHSD11B1PTPN1MEN1KMT2A
Phenol SCHEMBL566141 0.81 DHFR (0.36) DHFRHSD11B1KDM4CPTPN1MEN1
SCHEMBL23907104 0.77 DHFR (0.37) DHFRHSD11B1KDM4CNPC1RAB9A
SCHEMBL23907118 0.76 HSD11B1 (0.38) DHFRHSD11B1KDM4CNPC1RAB9A
SCHEMBL5148071 0.76 DHFR (0.44) DHFRHSD11B1KDM4CNPC1RAB9A
SCHEMBL3451372 0.75 HSD11B1 (0.43) DHFRHSD11B1KDM4CNPC1RAB9A

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 1932/4885KDM4C 3765/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 DHFR 3087/4885HSD11B1 1932/4885KDM4C 3765/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 DHFR 3087/4885HSD11B1 1932/4885KDM4C 3765/4885

“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.