SCHEMBL4133173

SCHEMBL4133173

COC(=O)c1sc2ncccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
KMT2A Q03164 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CYP1A2 P05177 2/20 0.60
POLB P06746 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 3/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 3/20 0.51
ALDH1A1 P00352 1/20 0.47
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
LIMK1 P53667 1/20 0.40
MEN1 O00255 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
SCHEMBL17431348 0.85 KDM4E (0.69) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4124241 0.84 KDM4E (0.66) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4120166 0.84 KDM4E (0.43) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4119509 0.83 KDM4E (0.65) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4860359 0.82 KDM4E (0.71) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4126797 0.81 AXL (0.43) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL3193712 0.81 KDM4E (0.40) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL8104696 0.81 KDM4E (0.67) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4132102 0.81 KDM4E (0.39) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4851054 0.80 KDM4E (0.66) KDM4EKMT2ANPSR1CYP1A2POLB

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.