SCHEMBL4125811

SCHEMBL4125811

O=C(O)COc1c(C(=O)O)sc2cc(-c3ccccc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.55
PTPN2 P17706 3/20 0.55
PTPRC P08575 2/20 0.55
MCL1 Q07820 1/20 0.51
ACLY P53396 1/20 0.44

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
SCHEMBL4125670 0.91 PTPN1 (0.58) PTPN1PTPN2PTPRCMCL1
SCHEMBL4126991 0.90 PTPN1 (0.63) PTPN1PTPN2PTPRCMCL1
SCHEMBL4126654 0.90 PTPN1 (0.59) PTPN1PTPN2PTPRCMCL1
SCHEMBL4118995 0.89 PTPN1 (0.47) PTPN1PTPN2PTPRCMCL1
SCHEMBL4123945 0.89 PTPN1 (0.64) PTPN1PTPN2PTPRCMCL1
SCHEMBL4120104 0.89 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL4118805 0.87 PTPN1 (0.61) PTPN1PTPN2PTPRCMCL1
SCHEMBL4127187 0.87 PTPN1 (0.44) PTPN1PTPN2PTPRCMCL1
SCHEMBL4128131 0.86 PTPN1 (0.44) PTPN1PTPN2PTPRCMCL1
SCHEMBL4127708 0.86 PTPN1 (0.49) PTPN1PTPN2PTPRCMCL1

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 11/4885PTPN2 23/4885PTPRC 13/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885PTPRC 13/4885

“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.