SCHEMBL840600

SCHEMBL840600

CCC[C@H](NC(=O)C(C#N)=CC=Cc1cccc(Br)n1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 11/20 0.79
UCHL1 P09936 1/20 0.79
USP5 P45974 1/20 0.79
STAT3 P40763 1/20 0.56
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR3 P29371 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
USP24 Q9UPU5 1/20 0.36

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
SCHEMBL840599 1.00 USP9X (0.79) USP9XUCHL1USP5STAT3MEN1
SCHEMBL840726 0.92 USP9X (0.67) USP9XUCHL1USP5STAT3MEN1
SCHEMBL840727 0.92 USP9X (0.67) USP9XUCHL1USP5STAT3MEN1
SCHEMBL1317671 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3MEN1
SCHEMBL1317674 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3MEN1
SCHEMBL1317669 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3MEN1
SCHEMBL882501 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3MEN1
Mol-4239 SCHEMBL1316581 0.85 STAT3 (0.77) USP9XUCHL1USP5STAT3MEN1
Mol-4239 SCHEMBL29818004 0.85 STAT3 (0.77) USP9XUCHL1USP5STAT3MEN1
Mol-4239 SCHEMBL862248 0.85 STAT3 (0.77) USP9XUCHL1USP5STAT3MEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000179-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-07 US disclosed
US-9000179-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-07 US disclosed
US-9000179-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-07 US disclosed
EP-2307367-B1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) UNIV TEXAS (US) 2014-09-24 EP disclosed
EP-2307367-B1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) UNIV TEXAS (US) 2014-09-24 EP disclosed
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 US disclosed
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 US disclosed
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 US disclosed
US-8637675-B2 Inhibitors of proliferation and activation of signal transducer and activators of transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-01-28 US disclosed
US-8637675-B2 Inhibitors of proliferation and activation of signal transducer and activators of transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-01-28 US disclosed
US-8143412-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2012-03-27 US disclosed
US-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, LLC (US) 2011-11-10 US disclosed
US-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, LLC (US) 2011-11-10 US disclosed
US-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, LLC (US) 2011-11-10 US disclosed
WO-2011069141-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-09 WO disclosed
WO-2011069141-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-09 WO disclosed
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-03-03 US disclosed
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-03-03 US disclosed
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-03-03 US disclosed
WO-2010005807-A2 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-14 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 (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-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS VHL, PRKDC, POLR1C USP9X 3737/4885UCHL1 3312/4885USP5 3130/4885
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) STAT5A, STAT3, STAT5B USP9X 2957/4885UCHL1 4295/4885USP5 3054/4885
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) STAT5A, STAT3, STAT5B USP9X 2957/4885UCHL1 4295/4885USP5 3054/4885

“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.