SCHEMBL864065

SCHEMBL864065

CCCC(=O)c1ccc(OCCOCCOCCN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
THRB P10828 5/20 0.52
RARB P10826 1/20 0.51
MMP1 P03956 1/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.46
STS P08842 1/20 0.45
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL10125029 0.84 THRA (0.53) THRAL3MBTL1THRBRARBMMP1
SCHEMBL3811415 0.82 L3MBTL1 (0.60) THRAL3MBTL1THRBRARBMMP1
SCHEMBL864288 0.81 L3MBTL1 (0.59) THRAL3MBTL1THRBRARBMMP1
SCHEMBL13753195 0.78 L3MBTL1 (0.77) THRAL3MBTL1THRBMMP1MAPT
SCHEMBL864407 0.77 THRA (0.72) THRAL3MBTL1THRBMMP1MAPT
SCHEMBL14287619 0.76 THRA (0.74) THRAL3MBTL1THRBMMP1MAPT
SCHEMBL864569 0.76 EBP (0.63) THRAL3MBTL1THRBMMP1MAPT
SCHEMBL1291801 0.75 L3MBTL1 (0.68) THRAL3MBTL1THRBMMP1MAPT
SCHEMBL1283638 0.75 THRA (0.67) THRAL3MBTL1THRBMMP1MAPT
SCHEMBL11878390 0.74 L3MBTL1 (0.66) THRAL3MBTL1THRBMMP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed
US-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UNIV MICHIGAN (US) 2014-12-04 US disclosed
US-8809377-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-19 US disclosed
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 US 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 (2 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-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 THRA 4740/4885L3MBTL1 369/4885THRB 4510/4885
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 THRA 4740/4885L3MBTL1 369/4885THRB 4510/4885

“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.