SCHEMBL863580

SCHEMBL863580

CCCC(NC(=O)CC#N)c1ccc(OCOC)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 2/20 0.40
GPR88 Q9GZN0 8/20 0.39
UTS2R Q9UKP6 2/20 0.38
ACACA Q13085 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL21591851 0.85 ACACB (0.46) ACACBSMN1; SMN2GPR88TAS1R3TAS1R1
SCHEMBL863445 0.83 UTS2R (0.45) ACACBSMN1; SMN2FAAHGPR88UTS2R
SCHEMBL863629 0.82 ACACB (0.45) ACACBSMN1; SMN2FAAH
SCHEMBL864421 0.80 FAAH (0.51) ACACBSMN1; SMN2FAAHGPR88ACACA
SCHEMBL864058 0.79 USP9X (0.48) SMN1; SMN2
SCHEMBL864059 0.79 USP9X (0.48) SMN1; SMN2
SCHEMBL864164 0.79 USP9X (0.50) ACACBGPR88
SCHEMBL864278 0.78 SMN1; SMN2 (0.41) ACACBSMN1; SMN2FAAHGPR88
SCHEMBL864381 0.77 USP9X (0.60) ACACBSMN1; SMN2GPR88
SCHEMBL10125025 0.74 ACACB (0.37) ACACBSMN1; SMN2FAAHGPR88

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 14 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
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-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UNIV MICHIGAN (US) 2014-12-04 US 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
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
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
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
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 ACACB 1534/4885SMN1; SMN2 203/4885FAAH 537/4885
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 ACACB 1534/4885SMN1; SMN2 203/4885FAAH 537/4885

“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.