SCHEMBL648387

SCHEMBL648387

COC(=O)CN(c1ccc(Oc2ccccc2)cc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 10/20 0.48
NFE2L2 Q16236 10/20 0.48
ALDH1A1 P00352 1/20 0.48
PTPN1 P18031 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BCL2 P10415 2/20 0.40
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
CYP19A1 P11511 2/20 0.39
PPARG P37231 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL4957519 0.94 ALDH1A1 (0.47) KEAP1NFE2L2ALDH1A1PTPN1CA12
SCHEMBL3920448 0.86 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1PTPN1CA12
SCHEMBL4309433 0.84 ALDH1A1 (0.41) KEAP1NFE2L2ALDH1A1PTPN1CA12
SCHEMBL646518 0.83 ALDH1A1 (0.54) KEAP1NFE2L2ALDH1A1PTPN1PTPN2
SCHEMBL646673 0.83 CA12 (0.43) KEAP1NFE2L2ALDH1A1CA12CA1
SCHEMBL2893397 0.81 ALDH1A1 (0.44) KEAP1NFE2L2ALDH1A1PTPN1CA12
SCHEMBL2889117 0.80 ALDH1A1 (0.45) KEAP1NFE2L2ALDH1A1PTPN1CA12
SCHEMBL28578328 0.80 ALDH1A1 (0.40) KEAP1NFE2L2ALDH1A1PTPN1CA12
SCHEMBL1731086 0.80 GAA (0.46) KEAP1NFE2L2ALDH1A1CA12CA1
SCHEMBL29626447 0.80 ALDH1A1 (0.43) KEAP1NFE2L2ALDH1A1PTPN1CA12

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 3 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

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 KEAP1 1827/4885NFE2L2 1890/4885ALDH1A1 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.