SCHEMBL4121429

SCHEMBL4121429

O=C(O)COc1c(C(=O)O)sc2c(-c3cccc(NC(=O)OCC4CCCCC4)c3)csc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.55
MGLL Q99685 2/20 0.52
PTGIR P43119 1/20 0.44
PTPN2 P17706 1/20 0.42

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
SCHEMBL4127833 0.86 MGLL (0.49) PTPN1MGLLPTGIR
SCHEMBL4119103 0.84 PTPN1 (0.69) PTPN1PTPN2
SCHEMBL4120683 0.81 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL3263153 0.79 PTPN1 (0.50) PTPN1MGLLPTGIRPTPN2
SCHEMBL3203635 0.76 PTPN1 (0.48) PTPN1MGLLPTGIRPTPN2
SCHEMBL4121435 0.75 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL4141672 0.73 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL4124234 0.73 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL17344408 0.72 MGLL (0.73) MGLLPTGIR
SCHEMBL3907307 0.72 PTPN1 (0.52) 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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885MGLL 2574/4885PTGIR 3809/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885MGLL 2574/4885PTGIR 3809/4885

“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.