SCHEMBL3922237

SCHEMBL3922237

COC(=O)CN(c1ccc(OCC(=O)OCC[Si](C)(C)C)cc1OCc1ccccc1)S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KEAP1 Q14145 12/20 0.43
NFE2L2 Q16236 12/20 0.43
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
CYP19A1 P11511 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL3927338 0.93 KEAP1 (0.49) KEAP1NFE2L2
SCHEMBL4309433 0.86 ALDH1A1 (0.41) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL12056123 0.85 ALDH1A1 (0.45) ALDH1A1KEAP1NFE2L2MAPTKDM4E
SCHEMBL3916604 0.83 KDM4E (0.40) ALDH1A1KEAP1NFE2L2CYP19A1MTNR1A
SCHEMBL646518 0.81 ALDH1A1 (0.54) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL3919065 0.80 KEAP1 (0.43) KEAP1NFE2L2
SCHEMBL3916606 0.78 KDM4E (0.43) ALDH1A1CYP19A1MTNR1AMTNR1BMEN1
SCHEMBL12056121 0.78 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPOLB
SCHEMBL3917977 0.76 KEAP1 (0.50) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL3918404 0.76 ALDH1A1 (0.52) ALDH1A1KEAP1NFE2L2PTPN1PTPN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC ALDH1A1 2621/4885KEAP1 1570/4885NFE2L2 1245/4885

“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.