SCHEMBL2399663

SCHEMBL2399663

COc1ccc(CC(O)=S)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.59
MAPT P10636 2/20 0.56
KMT2A Q03164 5/20 0.55
GAA P10253 4/20 0.55
MEN1 O00255 3/20 0.55
CYP2C19 P33261 1/20 0.55
LDHA P00338 1/20 0.54
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 3/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 1/20 0.51
CA5A P35218 1/20 0.51
ALDH1A1 P00352 3/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL11265688 0.81 MAPT (0.61) CA2MAPTKMT2AMEN1LDHA
SCHEMBL30049382 0.81 GAA (0.74) CA2MAPTKMT2AGAAMEN1
SCHEMBL153055 0.81 GAA (0.74) CA2MAPTKMT2AGAAMEN1
SCHEMBL6617103 0.80 CA2 (0.63) CA2MAPTKMT2AGAAMEN1
Hydrochloric Acid SCHEMBL2530820 0.79 GAA (0.72) CA2MAPTKMT2AGAAMEN1
SCHEMBL27952523 0.79 GAA (0.72) CA2MAPTKMT2AGAAMEN1
SCHEMBL4680947 0.79 LMNA (0.59) CA2MAPTKMT2AGAAMEN1
SCHEMBL2272896 0.78 PTGS2 (0.55) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL11187045 0.78 LMNA (0.63) CA2MAPTKMT2AGAAMEN1
SCHEMBL30859524 0.78 LMNA (0.63) CA2MAPTKMT2AGAAMEN1

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-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
WO-2004022337-A1 STABILIZED INFRARED-SENSITIVE ELEMENTS KODAK POLYCHROME GRAPHICS GMBH (DE) 2004-03-18 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 CA2 635/4885MAPT 4009/4885KMT2A 1909/4885

“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.