SCHEMBL4132097

SCHEMBL4132097

COC(=O)c1sc2cc(C(C)=NO)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
MAPT P10636 6/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
LCK P06239 1/20 0.33
GAA P10253 2/20 0.33
HDAC1 Q13547 1/20 0.32
ATM Q13315 1/20 0.32
CXCR2 P25025 1/20 0.31
PTPRC P08575 2/20 0.31

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
SCHEMBL4132094 1.00 KDM4E (0.36) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4121844 0.91 MAPT (0.38) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4126482 0.85 KDM4E (0.41) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4131053 0.83 SMN1; SMN2 (0.43) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL6505258 0.81 MAPT (0.35) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4131424 0.80 MAPT (0.37) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4131737 0.80 L3MBTL1 (0.41) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4119302 0.80 LIPG (0.42) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL6505261 0.80 MAPT (0.39) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL4118818 0.79 PTPN1 (0.39) KDM4EMAPTHPGDALDH1A1SMN1; SMN2

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 KDM4E 899/4885MAPT 3303/4885HPGD 3685/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885MAPT 3303/4885HPGD 3685/4885

“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.