SCHEMBL864133

SCHEMBL864133

CCCC(NC(=O)CP(=O)(OCC)OCC)c1ccc(OCCOCCOCCN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
FAAH O00519 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
GPR88 Q9GZN0 6/20 0.36
MAPK1 P28482 1/20 0.35
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RARB P10826 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10125040 0.89 GPR88 (0.35) SMN1; SMN2FAAHTAS1R3TAS1R1GPR88
SCHEMBL864278 0.82 SMN1; SMN2 (0.41) SMN1; SMN2FAAHGPR88SLC2A1ALDH1A1
SCHEMBL873551 0.76 RECQL (0.41) SMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL864277 0.74 SLC2A1 (0.47) SLC2A1ALDH1A1RARBKDM4E
SCHEMBL10125025 0.71 ACACB (0.37) SMN1; SMN2FAAHGPR88SLC2A1
SCHEMBL864620 0.71 USP9X (0.44) SMN1; SMN2FAAHTAS1R3TAS1R1GPR88
SCHEMBL864621 0.71 USP9X (0.44) SMN1; SMN2FAAHTAS1R3TAS1R1GPR88
SCHEMBL864756 0.68 USP9X (0.68) GPR88
SCHEMBL864757 0.68 USP9X (0.68) GPR88
SCHEMBL864065 0.66 THRA (0.59) SMN1; SMN2ALDH1A1RARB

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
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
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

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 SMN1; SMN2 203/4885FAAH 537/4885TAS1R3 4758/4885
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 SMN1; SMN2 203/4885FAAH 537/4885TAS1R3 4758/4885

“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.