SCHEMBL648066

SCHEMBL648066

C[Si](C)(C)CCN1C(=O)CN(c2ccc(Cc3ccccc3NS(=O)(=O)Cc3ccccc3)cc2OCc2ccccc2)S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
PTK2B Q14289 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
GLO1 Q04760 1/20 0.31
F2 P00734 2/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL648444 0.92 TRIM24 (0.32) TRIM24
SCHEMBL647699 0.86 BRD4 (0.41)
SCHEMBL647136 0.85 CHRNA7 (0.34) ALDH1A1
SCHEMBL3918925 0.84 CHRNA7 (0.33) ALDH1A1
SCHEMBL648847 0.84 PTGER1 (0.33) ALDH1A1
SCHEMBL646808 0.83 PTGER1 (0.40) ALDH1A1MAPK1
SCHEMBL3927122 0.82 FNTA (0.36) ALDH1A1
SCHEMBL646235 0.81 PTGER1 (0.35)
SCHEMBL646797 0.81 PTGER1 (0.34) ALDH1A1MAPK1HPGD
SCHEMBL647194 0.81 CSF1R (0.32)

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 5 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-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-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 (1 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 TRIM24 3073/4885AR 2087/4885ALDH1A1 2398/4885

“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.