SCHEMBL3918404

SCHEMBL3918404

COC(=O)CN(c1ccc(CS(C)(=O)=O)cc1OCc1ccccc1)S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
PTPN1 P18031 4/20 0.49
PTPN6 P29350 3/20 0.49
PTPN2 P17706 2/20 0.49
CYP19A1 P11511 5/20 0.48
PTPN11 Q06124 2/20 0.47
PTPRF P10586 1/20 0.47
KEAP1 Q14145 10/20 0.46
NFE2L2 Q16236 10/20 0.46

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
SCHEMBL27737992 0.88 ALDH1A1 (0.50) ALDH1A1PTPN1PTPN6PTPN2CYP19A1
SCHEMBL3917277 0.87 ALDH1A1 (0.48) ALDH1A1PTPN1PTPN6PTPN2CYP19A1
SCHEMBL3917977 0.83 KEAP1 (0.50) ALDH1A1PTPN1PTPN6PTPN2CYP19A1
SCHEMBL646518 0.83 ALDH1A1 (0.54) ALDH1A1PTPN1PTPN6PTPN2CYP19A1
SCHEMBL27737966 0.82 ALDH1A1 (0.47) ALDH1A1PTPN1PTPN6PTPN2CYP19A1
SCHEMBL4956387 0.78 ALDH1A1 (0.53) ALDH1A1PTPN1PTPN6PTPN2PTPN11
SCHEMBL2892656 0.77 ALDH1A1 (0.51) ALDH1A1PTPN1PTPN6PTPN2CYP19A1
SCHEMBL2892950 0.76 ALDH1A1 (0.48) ALDH1A1PTPN1PTPN6PTPN2CYP19A1
SCHEMBL629539 0.76 MAOB (0.45) ALDH1A1KEAP1NFE2L2
SCHEMBL3922237 0.76 ALDH1A1 (0.46) ALDH1A1PTPN1PTPN6PTPN2CYP19A1

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 2621/4885PTPN1 21/4885PTPN6 22/4885

“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.