SCHEMBL4120881

SCHEMBL4120881

COC(=O)COc1c(C(=O)OC)sc2c(C)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
NR4A2 P43354 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
PTGER4 P35408 1/20 0.39

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
SCHEMBL4136809 0.86 KMT2A (0.53) GAAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL25706983 0.78 LMNA (0.50) GAAL3MBTL1KMT2AMEN1POLB
SCHEMBL28175469 0.78 LMNA (0.62) GAAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL4118782 0.77 PTPN1 (0.61) KMT2AKDM4E
SCHEMBL3198134 0.77 KDM4E (0.43) GAAL3MBTL1KMT2AMEN1NPSR1
SCHEMBL4127318 0.76 LMNA (0.49) GAAL3MBTL1KMT2AMEN1NPSR1
SCHEMBL10428803 0.75 KMT2A (0.57) GAAL3MBTL1KMT2AMEN1POLB
SCHEMBL28175470 0.75 LMNA (0.51) GAAL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL3198589 0.72 KDM4E (0.47) GAAKMT2AMEN1CYP1A2NPSR1
SCHEMBL3190687 0.72 KDM4E (0.41) GAAL3MBTL1KMT2AMEN1CYP1A2

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 GAA 850/4885L3MBTL1 2530/4885KMT2A 2936/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM GAA 850/4885L3MBTL1 2530/4885KMT2A 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.