SCHEMBL4133220

SCHEMBL4133220

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 3/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
LCK P06239 3/20 0.31
RIPK1 Q13546 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
MEN1 O00255 1/20 0.31
MKNK2 Q9HBH9 1/20 0.30
POLB P06746 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4132520 0.89 KDM4E (0.36) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4132741 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL13926055 0.77 GAA (0.39) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL1062649 0.71 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL1061759 0.70 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL4118548 0.67 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL4131053 0.66 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL3187523 0.66 KMT2A (0.32) KDM4EHPGDKMT2ASMN1; SMN2MAPT
SCHEMBL4120166 0.65 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4121757 0.65 MAPK1 (0.43) KDM4EALDH1A1HPGDKMT2ASMN1; 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 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 2329/4885HPGD 3685/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885ALDH1A1 2329/4885HPGD 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.