SCHEMBL647180

SCHEMBL647180

CC(C)(C)OC(=O)CN(c1ccc(I)cc1OCc1ccccc1)S(=O)(=O)N(CC[Si](C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 14/20 0.39
NFE2L2 Q16236 14/20 0.39
CYP19A1 P11511 3/20 0.35
STAT5B P51692 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL12971500 0.85 CYP19A1 (0.34) KEAP1NFE2L2CYP19A1
SCHEMBL647977 0.79 KEAP1 (0.41) KEAP1NFE2L2
SCHEMBL646673 0.78 CA12 (0.43) KEAP1NFE2L2CYP19A1ALDH1A1
SCHEMBL647810 0.72 KEAP1 (0.48) KEAP1NFE2L2CYP19A1
SCHEMBL647196 0.69 STAT5B (0.33) KEAP1NFE2L2STAT5B
SCHEMBL646567 0.66 BRD4 (0.42) CYP19A1
SCHEMBL4309433 0.65 ALDH1A1 (0.41) KEAP1NFE2L2CYP19A1ALDH1A1
SCHEMBL3424561 0.65 TDP1 (0.50)
SCHEMBL24750724 0.65 KDM1A (0.42) KEAP1NFE2L2CYP19A1ALDH1A1
SCHEMBL3920448 0.64 KEAP1 (0.44) KEAP1NFE2L2CYP19A1ALDH1A1

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-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
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

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 KEAP1 1827/4885NFE2L2 1890/4885CYP19A1 1947/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC KEAP1 1570/4885NFE2L2 1245/4885CYP19A1 1354/4885

“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.