SCHEMBL4126271

SCHEMBL4126271

O=C(O)COc1c(C(=O)O)sc2nc(OCc3ccccc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PTPN1 P18031 15/20 0.47
PTPN2 P17706 2/20 0.47
PTPRC P08575 1/20 0.44
EDNRA P25101 1/20 0.40
NOX1 Q9Y5S8 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL17431364 0.80 KMT2A (0.51) KDM4EALDH1A1PTPN1PTPN2GAA
SCHEMBL4118398 0.80 PTPN1 (0.53) KDM4EALDH1A1PTPN1PTPN2PTPRC
SCHEMBL4131579 0.79 KDM4E (0.52) KDM4EALDH1A1PTPN1PTPN2PTPRC
Hydrochloric Acid SCHEMBL4120492 0.78 KDM4E (0.47) KDM4EALDH1A1PTPN1PTPN2PTPRC
SCHEMBL4127703 0.76 KDM4E (0.44) KDM4EALDH1A1GAAKMT2ANPSR1
SCHEMBL13926046 0.76 PTPN1 (0.45) KDM4EALDH1A1PTPN1PTPN2PTPRC
SCHEMBL13950062 0.76 PTPN1 (0.45) KDM4EALDH1A1PTPN1PTPN2PTPRC
SCHEMBL4126773 0.75 EDNRA (0.59) KDM4EALDH1A1PTPN1PTPN2PTPRC
SCHEMBL5226998 0.75 KDM4E (1.00) KDM4EALDH1A1EDNRAGAAKMT2A
SCHEMBL13926043 0.75 KDM4E (0.71) KDM4EALDH1A1PTPN1PTPN2PTPRC

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 5 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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
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 KDM4E 899/4885ALDH1A1 2329/4885PTPN1 11/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885ALDH1A1 2329/4885PTPN1 11/4885

“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.