SCHEMBL4120950

SCHEMBL4120950

CCOC(=O)COc1c(C(=O)OC)sc2nc([S+]([O-])CC(=O)OC)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
KMT2A Q03164 6/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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 0.81 KDM4E (0.48) KDM4EKMT2ANPSR1GAAPOLB
SCHEMBL17431450 0.81 KDM4E (0.47) KDM4EKMT2ANPSR1GAAPOLB
SCHEMBL4124223 0.78 KDM4E (0.44) KDM4EKMT2ANPSR1GAAPOLB
SCHEMBL17431348 0.78 KDM4E (0.69) KDM4EKMT2ANPSR1GAAPOLB
SCHEMBL4132444 0.77 KDM4E (0.60) KDM4EKMT2APOLBCYP1A2CYP2C9
SCHEMBL4120166 0.71 KDM4E (0.43) KDM4EKMT2ANPSR1GAAPOLB
SCHEMBL3198134 0.71 KDM4E (0.43) KDM4EKMT2ANPSR1GAATDP1
SCHEMBL17431276 0.71 KMT2A (0.61) KDM4EKMT2ANPSR1GAAPOLB
SCHEMBL17431381 0.70 KMT2A (0.52) KDM4EKMT2ANPSR1GAAPOLB
SCHEMBL4118472 0.70 KDM4E (0.42) KDM4EKMT2ANPSR1GAAPOLB

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 2936/4885NPSR1 3948/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885KMT2A 2936/4885NPSR1 3948/4885

“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.