SCHEMBL864620

SCHEMBL864620

CCCC(NC(=O)/C=C/c1cccc(Br)n1)c1ccc(OCCOCCOCCN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 5/20 0.44
UCHL1 P09936 1/20 0.44
USP5 P45974 1/20 0.44
UTS2R Q9UKP6 7/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
GPR88 Q9GZN0 3/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL864621 1.00 USP9X (0.44) USP9XUCHL1USP5UTS2RCHRNB2
SCHEMBL10125036 0.90 USP9X (0.40) USP9XUCHL1USP5UTS2RCHRNB2
SCHEMBL20171512 0.88 USP9X (0.44) USP9XUCHL1USP5UTS2RCHRNB2
SCHEMBL864757 0.84 USP9X (0.68) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL864756 0.84 USP9X (0.68) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL874038 0.77 NAMPT (0.39) ALDH1A1HTTSMN1; SMN2
SCHEMBL10125023 0.75 USP9X (0.61) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL864278 0.73 SMN1; SMN2 (0.41) USP9XALDH1A1FAAHGPR88SMN1; SMN2
SCHEMBL865270 0.73 SORT1 (0.48)
SCHEMBL23818359 0.71 CRBN (0.34) USP9XUCHL1USP5CHRNB2CHRNA4

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 4 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
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 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.