SCHEMBL646673

SCHEMBL646673

CC(C)(C)OC(=O)CN(c1ccc(I)cc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
KEAP1 Q14145 10/20 0.41
NFE2L2 Q16236 10/20 0.41
CYP19A1 P11511 6/20 0.41
ALDH1A1 P00352 1/20 0.39
AKT1 P31749 1/20 0.37

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
SCHEMBL648387 0.83 KEAP1 (0.48) CA12CA1CA7CA14KEAP1
SCHEMBL3920448 0.83 KEAP1 (0.44) CA12CA1CA7CA14KEAP1
SCHEMBL4957519 0.78 ALDH1A1 (0.47) CA12CA1CA7CA14KEAP1
SCHEMBL647180 0.78 KEAP1 (0.39) KEAP1NFE2L2CYP19A1ALDH1A1
SCHEMBL2893397 0.78 ALDH1A1 (0.44) CA12CA1CA7CA14KEAP1
SCHEMBL31285438 0.77 CA12 (0.37) CA12CA1CA7CA14KEAP1
SCHEMBL28578328 0.77 ALDH1A1 (0.40) CA12CA1CA7CA14KEAP1
SCHEMBL2889117 0.77 ALDH1A1 (0.45) CA12CA1CA7CA14KEAP1
SCHEMBL29626447 0.76 ALDH1A1 (0.43) CA12CA1CA7CA14KEAP1
SCHEMBL2888862 0.76 ALDH1A1 (0.43) CA12CA1CA7CA14KEAP1

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 7 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
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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 CA12 4748/4885CA1 4477/4885CA7 3678/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC CA12 3943/4885CA1 4094/4885CA7 2803/4885

“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.