SCHEMBL3920195

SCHEMBL3920195

O=C1CN(c2ccc(C[C@H]3C=Cc4ccccc4C(=O)N3)cc2OCc2ccccc2)S(=O)(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 4/20 0.39
PTPN1 P18031 6/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
PTPN2 P17706 1/20 0.32
CRBN Q96SW2 1/20 0.32
IKZF3 Q9UKT9 1/20 0.32
MMP13 P45452 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
OPRL1 P41146 1/20 0.30
PRKDC P78527 1/20 0.30
ATM Q13315 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL3923223 1.00 TNKS2 (0.39) TNKS2PTPN1ALDH1A1MAPTHSD17B10
SCHEMBL3224700 0.84 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3224724 0.84 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3920216 0.83 TNKS2 (0.40) TNKS2PTPN1ALDH1A1MAPTHSD17B10
SCHEMBL1731124 0.81 TNKS2 (0.43) TNKS2PTPN1ALDH1A1MAPTHSD17B10
SCHEMBL4129304 0.81 TNKS2 (0.35) TNKS2ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL4129302 0.81 TNKS2 (0.35) TNKS2ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL3918065 0.79 PTPN1 (0.46) PTPN1ALDH1A1MAPTHSD17B10KDM4C
SCHEMBL3921475 0.79 PTPN1 (0.41) TNKS2PTPN1ALDH1A1MAPTHSD17B10
SCHEMBL3921485 0.79 PTPN1 (0.41) TNKS2PTPN1ALDH1A1MAPTHSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686990-B1 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2012-09-19 EP disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-1686990-A4 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2009-06-03 EP disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
US-7101902-B2 2-guanidinylimidazolidinedione compounds and methods of making and using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-09-05 US disclosed
EP-1686990-A2 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. Army Medical Research and Materiel Command (US) 2006-08-09 EP disclosed
WO-2005072082-A2 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-08-11 WO disclosed
US-20050148645-A1 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof ARMY, UNITED STATES 2005-07-07 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-20050148645-A1 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof GUCY1B2, GUCY1A2, AGK TNKS2 1145/4885PTPN1 4265/4885ALDH1A1 677/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC TNKS2 1042/4885PTPN1 21/4885ALDH1A1 2621/4885

“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.