SCHEMBL2397244

SCHEMBL2397244

COc1ccc(S(=O)(=O)CC(O)=S)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD11B1 P28845 1/20 0.45
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
PAX8 Q06710 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL2397437 0.85 POLB (0.58) MAPK1POLBTSHRCA12CA9
SCHEMBL2397242 0.82 TSHR (0.58) MAPK1POLBTSHRCA12CA9
SCHEMBL20892712 0.79 MAPK1 (0.68) MAPK1POLBTSHRCA12CA9
SCHEMBL7031880 0.77 MAPK1 (0.59) MAPK1POLBTSHRCA12CA9
SCHEMBL14612480 0.76 MAPK1 (0.63) MAPK1POLBTSHRCA12CA9
SCHEMBL7029977 0.73 MAPK1 (0.59) MAPK1POLBTSHRCA12CA9
SCHEMBL5809527 0.73 MAPK1 (0.59) MAPK1POLBTSHRCA12CA9
SCHEMBL29362862 0.73 MAPK1 (0.70) MAPK1POLBTSHRCA12CA9
SCHEMBL3493614 0.73 MAPK1 (0.70) MAPK1POLBTSHRCA12CA9
SCHEMBL20314685 0.72 MAPK1 (0.58) MAPK1POLBTSHRLMNAHTT

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-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 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 (1 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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS MAPK1 3093/4885POLB 1661/4885TSHR 3747/4885

“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.