SCHEMBL4125907

SCHEMBL4125907

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.43
PTPN2 P17706 3/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 1/20 0.42
PTPRC P08575 2/20 0.41
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4131579 0.81 KDM4E (0.52) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL17431272 0.80 KMT2A (0.46) PTPN1PTPN2KDM4EALDH1A1PKM
SCHEMBL13950062 0.78 PTPN1 (0.45) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL13926046 0.78 PTPN1 (0.45) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL4118398 0.77 PTPN1 (0.53) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL13926043 0.74 KDM4E (0.71) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL4120914 0.74 KDM4E (0.43) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL4126271 0.74 KDM4E (0.60) PTPN1PTPN2KDM4EALDH1A1PTPRC
Hydrochloric Acid SCHEMBL4132095 0.71 PTPN1 (0.46) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL4124223 0.71 KDM4E (0.44) KDM4EALDH1A1PRNPGAA

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-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 PTPN1 11/4885PTPN2 23/4885KDM4E 899/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885KDM4E 899/4885

“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.