SCHEMBL4118548

SCHEMBL4118548

COC(=O)c1sc2cncc(Cl)c2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NCOA1 Q15788 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KMT2A Q03164 5/20 0.34
CYP1A2 P05177 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATR Q13535 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
SCHEMBL4132520 0.79 KDM4E (0.36) KDM4EHPGDGAAALDH1A1HTT
SCHEMBL13868006 0.78 KMT2A (0.36) KDM4EHPGDGAAHSD17B10KMT2A
SCHEMBL4131053 0.75 SMN1; SMN2 (0.43) KDM4EHPGDGAAALDH1A1GLA
SCHEMBL3187523 0.74 KMT2A (0.32) KDM4EHPGDGAAKMT2ACYP1A2
SCHEMBL4131544 0.73 KDM4E (0.45) KDM4EHPGDGAAALDH1A1HTT
SCHEMBL4133223 0.72 ALDH1A1 (0.56) KDM4EHPGDGAAALDH1A1KMT2A
SCHEMBL7058501 0.72 KDM4E (0.57) KDM4EHPGDGAAALDH1A1HTT
SCHEMBL3204312 0.71 KMT2A (0.37) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL3906530 0.70 PTPN1 (0.48) GAAHSD17B10KMT2ACYP1A2MAPT
SCHEMBL25034754 0.70

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 899/4885HPGD 3685/4885GAA 850/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885HPGD 3685/4885GAA 850/4885

“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.