SCHEMBL2024930

SCHEMBL2024930

COCOc1cc(CO)c(Br)c(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MAPT P10636 2/20 0.32
ROR1 Q01973 1/20 0.32
EGFR P00533 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
FYN P06241 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
SCHEMBL2025203 0.85 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12581692 0.83 MAPT (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2866529 0.83 HDAC3 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17385919 0.83 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28859118 0.82 DPP4 (0.33) PDE4APDE4BPDE4CPDE4DFYN
SCHEMBL4394914 0.81 HSD17B10 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2859836 0.80 HSP90AB1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4378992 0.78 F2 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16010033 0.77 ALDH1A1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3155410 0.77 MAPT (0.37) PDE4APDE4BPDE4CPDE4DMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2458995-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES Anacor Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-7781485-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-24 US disclosed
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070265268-A1 Hsp90 Family protein Inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-15 US disclosed
EP-1813270-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-01 EP disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070265268-A1 Hsp90 Family protein Inhibitors HSPA4L, HSP90AB1, HSP90B1 PDE4A 3857/4885PDE4B 4231/4885PDE4C 4367/4885
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES BCL6B, BCL6, BLK PDE4A 3536/4885PDE4B 2164/4885PDE4C 3534/4885
US-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P PDE4A 4374/4885PDE4B 4266/4885PDE4C 4564/4885

“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.