SCHEMBL4132520

SCHEMBL4132520

COC(=O)c1sc2cc(C)nc(Cl)c2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 6/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATR Q13535 1/20 0.33
MAPK1 P28482 1/20 0.32
STING1 Q86WV6 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4133220 0.89 KDM4E (0.35) KDM4EALDH1A1KMT2APOLBGAA
SCHEMBL13926055 0.88 GAA (0.39) KDM4EALDH1A1KMT2AL3MBTL1POLB
SCHEMBL4118548 0.79 KDM4E (0.36) KDM4EALDH1A1KMT2AL3MBTL1POLB
SCHEMBL3187523 0.77 KMT2A (0.32) KDM4EKMT2AL3MBTL1POLBGAA
SCHEMBL1061759 0.75 ALDH1A1 (0.45) KDM4EALDH1A1KMT2AL3MBTL1GAA
SCHEMBL4131053 0.75 SMN1; SMN2 (0.43) KDM4EALDH1A1KMT2AL3MBTL1GAA
SCHEMBL4132741 0.74 KDM4E (0.40) KDM4EALDH1A1KMT2APOLBGAA
SCHEMBL4120166 0.74 KDM4E (0.43) KDM4EALDH1A1KMT2AL3MBTL1POLB
SCHEMBL13868006 0.74 KMT2A (0.36) KDM4EKMT2AL3MBTL1POLBGAA
SCHEMBL3204312 0.73 KMT2A (0.37) KDM4EALDH1A1KMT2AL3MBTL1POLB

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 2329/4885KMT2A 2936/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885ALDH1A1 2329/4885KMT2A 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.