SCHEMBL566227

SCHEMBL566227

Fc1cc(Br)c(COC2CCCCO2)cc1OC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
DHFR P00374 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
P2RX3 P56373 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CREBBP Q92793 1/20 0.30
IDO1 P14902 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 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
SCHEMBL28816052 0.88 L3MBTL1 (0.39) L3MBTL1KDM4CMEN1KMT2AICAM1
SCHEMBL31614864 0.87 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AICAM1
SCHEMBL31614850 0.87 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AICAM1
SCHEMBL31615004 0.87 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AICAM1
SCHEMBL16861105 0.84 L3MBTL1 (0.38) L3MBTL1KDM4CMEN1KMT2AICAM1
SCHEMBL10214559 0.78 L3MBTL1 (0.47) L3MBTL1KDM4CMEN1KMT2AICAM1
SCHEMBL2284090 0.78 L3MBTL1 (0.47) L3MBTL1KDM4CMEN1KMT2ADHFR
SCHEMBL564788 0.78 DHFR (0.38) L3MBTL1KDM4CMEN1KMT2ADHFR
SCHEMBL19729142 0.76 PDE4B (0.33) L3MBTL1PTPN1MEN1KMT2AP2RX3
SCHEMBL14087193 0.76 KDM4C (0.38) L3MBTL1PTPN1KDM4CMEN1KMT2A

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 L3MBTL1 502/4885PTPN1 2022/4885KDM4C 3765/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 L3MBTL1 502/4885PTPN1 2022/4885KDM4C 3765/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 L3MBTL1 502/4885PTPN1 2022/4885KDM4C 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.