SCHEMBL566131

SCHEMBL566131

CC(OC1CCCCO1)c1cc(OC2CCCCO2)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
DHFR P00374 1/20 0.35
PTPN1 P18031 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TNK2 Q07912 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
S1PR3 Q99500 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
SCHEMBL24478275 0.81 PTPN1 (0.31) PTPN1
SCHEMBL2311360 0.81 HSD11B1 (0.39) HSD11B1DHFRPTPN1NPC1RAB9A
SCHEMBL28782014 0.80 SLC6A3 (0.34) PTPN1KDM4C
SCHEMBL26671300 0.80 CA2 (0.40) PTPN1
SCHEMBL3451372 0.79 HSD11B1 (0.43) HSD11B1DHFRNPC1RAB9AMEN1
SCHEMBL1755976 0.77 HSD11B1 (0.41) HSD11B1DHFRPTPN1NPC1RAB9A
SCHEMBL20004827 0.76 HSD11B1 (0.41) HSD11B1DHFRPTPN1NPC1RAB9A
SCHEMBL2649805 0.76 KDM4C (0.34) PTPN1KDM4C
SCHEMBL5535487 0.76 HSD11B1 (0.40) HSD11B1DHFRNPC1RAB9AMEN1
SCHEMBL2017636 0.76 HSD11B1 (0.40) HSD11B1DHFRNPC1RAB9AMEN1

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 3087/4885PTPN1 2022/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HSD11B1 1932/4885DHFR 3087/4885PTPN1 2022/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HSD11B1 1932/4885DHFR 3087/4885PTPN1 2022/4885

“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.