SCHEMBL7594100

SCHEMBL7594100

NS(=O)(=O)c1ccccc1-c1ccc(CSCc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
SCN9A Q15858 8/20 0.37
F10 P00742 5/20 0.37
PRSS1 P07477 5/20 0.35
F2 P00734 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
F7 P08709 1/20 0.35

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
SCHEMBL7595028 0.87 ALOX5AP (0.40) PTPN1
SCHEMBL7198006 0.84 PTPN1 (0.42) PTPN1
SCHEMBL7663140 0.83 PTPN1 (0.44) PTPN1
SCHEMBL7592239 0.82 PTPN1 (0.50) PTPN1
SCHEMBL7188776 0.81 PTPN1 (0.49) PTPN1
SCHEMBL7595806 0.78 PTPN1 (0.39) PTPN1
SCHEMBL7594097 0.78 PTPN1 (0.76) PTPN1SCN9AF10PRSS1F2
SCHEMBL7193468 0.77 PTPN1 (0.45) PTPN1
SCHEMBL7595311 0.77 PTPN1 (0.39) PTPN1
SCHEMBL7189794 0.74 PTPN1 (0.40) PTPN1

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
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US claimed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO PTPN1 13/4885SCN9A 863/4885F10 4412/4885

“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.