SCHEMBL646204

SCHEMBL646204

C=Cc1ccc(N2CC(=O)N(CC[Si](C)(C)C)S2(=O)=O)c(OCc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
NTSR1 P30989 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
APP P05067 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRNA7 P36544 2/20 0.33

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
SCHEMBL646477 0.92 MAOA (0.36) SIRT2ALDH1A1HPGDGAAMAPT
SCHEMBL3919196 0.89 APP (0.38) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL3919193 0.89 APP (0.38) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL3927311 0.87 CYP19A1 (0.36) ALDH1A1HPGDKDM4ECHRNA7CYP19A1
SCHEMBL4307625 0.86 APP (0.34) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL3930421 0.86 APP (0.34) ALDH1A1HPGDGAAMAPTMAPK1
SCHEMBL647698 0.86 CHRNA7 (0.34) PKMAPPMAPK14CHRNA7CYP19A1
SCHEMBL647136 0.86 CHRNA7 (0.34) ALDH1A1MAPTMEN1KMT2ACHRNA7
SCHEMBL4120857 0.86 APP (0.42) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL4121148 0.86 LMNA (0.47) ALDH1A1HPGDMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR SIRT2 4513/4885ALDH1A1 2398/4885HPGD 2578/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC SIRT2 4697/4885ALDH1A1 2621/4885HPGD 2515/4885

“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.