SCHEMBL2398217

SCHEMBL2398217

O=S(=O)(Cc1nnc(-c2ccc3[nH]cnc3c2)s1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 16/20 0.60
QPCT Q16769 10/20 0.60
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SPHK1 Q9NYA1 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
SCHEMBL2397932 0.83 QPCTL (0.87) QPCTLQPCT
SCHEMBL2396269 0.79 QPCTL (0.82) QPCTLQPCT
SCHEMBL2396014 0.78 QPCTL (0.57) QPCTLQPCT
SCHEMBL2395040 0.77 QPCTL (0.83) QPCTLQPCT
SCHEMBL2396524 0.76 QPCT (0.84) QPCTNPC1RAB9ASPHK1
SCHEMBL2395989 0.71 QPCTL (0.85) QPCTLQPCT
SCHEMBL2397082 0.70 QPCTL (0.84) QPCTLQPCT
SCHEMBL2397537 0.69 QPCTL (0.57) QPCTLQPCT
SCHEMBL2397538 0.69 QPCTL (0.84) QPCTLQPCT
SCHEMBL2397375 0.68 QPCTL (0.85) QPCTLQPCT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP claimed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US claimed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US 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 QPCTL 5/4885QPCT 1/4885NPC1 4581/4885

“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.