SCHEMBL646477

SCHEMBL646477

C[Si](C)(C)CCN1C(=O)CN(c2ccc(C=O)cc2OCc2ccccc2)S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35
NTSR1 P30989 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
TACR2 P21452 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
APP P05067 3/20 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
SCHEMBL646204 0.92 SIRT2 (0.36) ALDH1A1SMN1; SMN2HPGDMAPK1NTSR1
SCHEMBL3919193 0.89 APP (0.38) ALDH1A1SMN1; SMN2HPGDMAPK1NTSR1
SCHEMBL3919196 0.89 APP (0.38) ALDH1A1SMN1; SMN2HPGDMAPK1NTSR1
SCHEMBL647136 0.89 CHRNA7 (0.34) ALDH1A1MAPTMEN1KMT2ACHRNA7
SCHEMBL3927311 0.88 CYP19A1 (0.36) MAOBALDH1A1HPGDKDM4ECHRNA7
SCHEMBL4307625 0.87 APP (0.34) ALDH1A1SMN1; SMN2HPGDMAPK1NTSR1
SCHEMBL3930421 0.87 APP (0.34) ALDH1A1SMN1; SMN2HPGDMAPK1NTSR1
SCHEMBL647698 0.87 CHRNA7 (0.34) PKMAPPCHRNA7CYP19A1CYP11B1
SCHEMBL4312438 0.86 APP (0.34) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL4120857 0.86 APP (0.42) ALDH1A1SMN1; SMN2HPGDKDM4EHTT

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 MAOA 2550/4885MAOB 2295/4885ALDH1A1 2398/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC MAOA 2048/4885MAOB 1270/4885ALDH1A1 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.