SCHEMBL4131369

SCHEMBL4131369

COC(=O)c1sc2ncc([N+](=O)[O-])cc2c1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KAT2B Q92831 4/20 0.46
COMT P21964 1/20 0.44
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
OPRK1 P41145 1/20 0.39
TP53 P04637 1/20 0.38
ELANE P08246 2/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
CTRB1 P17538 1/20 0.37

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
SCHEMBL13926044 0.84 MAPT (0.64) MAPTNPC1RAB9AKAT2BPOLB
SCHEMBL9540942 0.82 MAPT (0.54) MAPTNPC1RAB9AKAT2BMEN1
SCHEMBL9540935 0.80 MAPT (0.50) MAPTNPC1RAB9AKAT2BPOLB
SCHEMBL13926047 0.79 IKBKB (0.55) MAPTKAT2BPOLBTP53
SCHEMBL4125318 0.78 MAPT (0.51) MAPTNPC1RAB9AKAT2BCOMT
SCHEMBL4127506 0.78 TP53 (0.40) MAPTHTTTP53
SCHEMBL4124645 0.78 TP53 (0.40) MAPTTP53
SCHEMBL9920133 0.77 MAPT (0.46) MAPTRAB9ACOMTPOLBMEN1
SCHEMBL16071468 0.73 MAPT (0.70) MAPTNPC1RAB9AKAT2BPOLB
SCHEMBL4132236 0.72 OPRK1 (0.51) MAPTNPC1RAB9APOLBMEN1

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 MAPT 3303/4885NPC1 4126/4885RAB9A 1873/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM MAPT 3303/4885NPC1 4126/4885RAB9A 1873/4885

“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.