SCHEMBL4124223

SCHEMBL4124223

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
PRNP P04156 1/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 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
SCHEMBL17431317 0.85 KDM4E (0.48) KDM4EKMT2AMAPTHPGDALDH1A1
SCHEMBL17431450 0.82 KDM4E (0.47) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL17431381 0.82 KMT2A (0.52) KDM4EKMT2AMAPTHPGDMAPK1
SCHEMBL4132444 0.79 KDM4E (0.60) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL4120950 0.78 KDM4E (0.45) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL17431348 0.78 KDM4E (0.69) KDM4EKMT2AMAPTHPGDALDH1A1
SCHEMBL4120166 0.72 KDM4E (0.43) KDM4EKMT2AMAPTHPGDALDH1A1
SCHEMBL3198134 0.72 KDM4E (0.43) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL17431276 0.72 KMT2A (0.61) KDM4EKMT2AMAPTHPGDALDH1A1
SCHEMBL4118472 0.71 KDM4E (0.42) KDM4EKMT2AMAPTHPGDALDH1A1

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 899/4885KMT2A 2936/4885MEN1 4592/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885KMT2A 2936/4885MEN1 4592/4885

“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.