SCHEMBL4119852

SCHEMBL4119852

O=C(O)COc1c(C(=O)O)sc2c(Cl)cccc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.61
PTPN2 P17706 2/20 0.61
KMT2A Q03164 1/20 0.58
MCL1 Q07820 2/20 0.50
PTPRC P08575 1/20 0.48
CD69 Q07108 2/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL3192642 0.92 PTPN1 (0.66) PTPN1PTPN2KMT2AMCL1PTPRC
SCHEMBL4118782 0.83 PTPN1 (0.61) PTPN1PTPN2KMT2AMCL1PTPRC
SCHEMBL3193527 0.80 PTPN1 (0.64) PTPN1PTPN2MCL1PTPRCCD69
SCHEMBL11844857 0.77 PTPN1 (0.76) PTPN1PTPN2KMT2AMCL1PTPRC
SCHEMBL4136809 0.76 KMT2A (0.53) KMT2AMCL1
SCHEMBL3198156 0.76 PTPN1 (1.00) PTPN1PTPN2MCL1PTPRCCD69
SCHEMBL3729436 0.75 KMT2A (1.00) KMT2AMCL1CD69HIF1A
SCHEMBL3194810 0.75 PTPN1 (0.61) PTPN1PTPN2KMT2APTPRC
SCHEMBL13926043 0.73 KDM4E (0.71) PTPN1PTPN2KMT2APTPRCHIF1A
SCHEMBL2897560 0.73 MCL1 (0.52) KMT2AMCL1

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 23/4885KMT2A 2936/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885KMT2A 2936/4885

“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.