SCHEMBL4138949

SCHEMBL4138949

COC(=O)COc1c(C(=O)OC)sc2cc(N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
MAPK1 P28482 4/20 0.50
GLA P06280 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 7/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
GAA P10253 6/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NCOA1 Q15788 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL4126172 0.85 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4125937 0.84 KMT2A (0.44) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4126959 0.83 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4131978 0.83 ALDH1A1 (0.43) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4121061 0.82 F9 (0.43) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4138854 0.81 KMT2A (0.44) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4126482 0.80 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4126193 0.80 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4124207 0.79 MAPT (0.39) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL4127460 0.78 SENP5 (0.50) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1

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 4 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-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 3303/4885ALDH1A1 2329/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885MAPT 3303/4885ALDH1A1 2329/4885

“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.