SCHEMBL864059

SCHEMBL864059

CCCC(NC(=O)CC#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 5/20 0.48
UCHL1 P09936 1/20 0.48
USP5 P45974 1/20 0.48
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 3/20 0.44
TACR3 P29371 1/20 0.44
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RIPK1 Q13546 1/20 0.40
SLC6A9 P48067 1/20 0.40

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
SCHEMBL864058 1.00 USP9X (0.48) USP9XUCHL1USP5MCL1ALDH1A1
SCHEMBL6217606 0.88 ALDH1A1 (0.52) MCL1ALDH1A1KDM4ELMNAPOLB
SCHEMBL13051427 0.83 RIPK1 (0.50) MCL1ALDH1A1KDM4ELMNATACR3
SCHEMBL3753174 0.83 RIPK1 (0.50) MCL1ALDH1A1KDM4ELMNATACR3
SCHEMBL6323327 0.81 ALDH1A1 (0.66) MCL1ALDH1A1SMN1; SMN2HTTNCOA1
SCHEMBL863580 0.79 ACACB (0.45) SMN1; SMN2
SCHEMBL15093362 0.79 TACR3 (0.51) USP9XUCHL1USP5ALDH1A1KDM4E
SCHEMBL574487 0.79 TACR3 (0.51) USP9XUCHL1USP5ALDH1A1KDM4E
SCHEMBL2262924 0.78 MAPT (0.58) MCL1ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL12389348 0.78 MAPT (0.58) MCL1ALDH1A1POLBSMN1; SMN2HTT

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
EP-3055310-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-03-31 EP disclosed
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed
US-9868736-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-01-16 US disclosed
US-20160237082-A1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-08-18 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-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 (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-20160237082-A1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME USP1, UCHL1, USP2 USP9X 33/4885UCHL1 2/4885USP5 14/4885
US-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 USP9X 33/4885UCHL1 1/4885USP5 19/4885
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 USP9X 33/4885UCHL1 1/4885USP5 19/4885

“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.