SCHEMBL646786

SCHEMBL646786

CC(C)(C)OC(=O)Nc1ccccc1CI

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
AKT1 P31749 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
METAP1 P53582 1/20 0.41
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CTSL P07711 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
IDO1 P14902 1/20 0.39
SLC29A1 Q99808 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6595061 0.89 LMNA (0.49) LMNAPOLBAKT1RXFP1BRD9
SCHEMBL29991524 0.87 POLB (0.50) LMNAPOLBRXFP1ALDH1A1TSHR
SCHEMBL13980716 0.87 POLB (0.50) LMNAPOLBRXFP1ALDH1A1TSHR
SCHEMBL29729975 0.86 ALDH1A1 (0.50) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL646870 0.86 ALDH1A1 (0.50) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL30476615 0.84 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL5766 0.84 LMNA (0.48) LMNAPOLBAKT1RXFP1BRD9
SCHEMBL17220667 0.84 LMNA (0.48) LMNAPOLBAKT1RXFP1BRD9
SCHEMBL29729882 0.84 LMNA (0.48) LMNAPOLBAKT1RXFP1BRD9
SCHEMBL19924407 0.84 LMNA (0.48) LMNAPOLBAKT1RXFP1BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133258-A1 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR 西华大学 2017-08-10 WO disclosed
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
EP-2252591-B1 ARYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI AVENTIS (FR) 2011-06-22 EP disclosed
US-20110053947-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-03-03 US disclosed
US-20110053947-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-03-03 US disclosed
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 US disclosed
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 US disclosed
WO-2009098000-A1 HETEROCYCLICALLY-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed
WO-2009097999-A1 ARYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 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 (4 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR LMNA 4805/4885POLB 4271/4885AKT1 867/4885
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof GIPR, DDC, PGC LMNA 1103/4885POLB 2947/4885AKT1 3300/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC LMNA 4825/4885POLB 2399/4885AKT1 1033/4885
US-20110053947-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof PGC, LIPC, CEL LMNA 483/4885POLB 3046/4885AKT1 4421/4885

“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.