SCHEMBL3633337

SCHEMBL3633337

COC(=O)c1c(C)csc1N=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPK8 P45983 6/20 0.41
MAPK9 P45984 6/20 0.41
MAPK10 P53779 6/20 0.41
MAPT P10636 4/20 0.39
GRM6 O15303 1/20 0.38
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL10714975 0.86 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPK8MAPK9
SCHEMBL9398168 0.86 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPK8MAPK9
SCHEMBL13118448 0.77 ADRA2A (0.43) ADRA2AADRA2BADRA2CMAPK8MAPK9
SCHEMBL2920208 0.75 POLB (0.45) MAPK8MAPK9MAPK10MAPTPOLB
SCHEMBL21847257 0.74 HPGD (0.40) MAPTPOLBCYP3A4ACHEALDH1A1
SCHEMBL3641033 0.73 GRM6 (0.47) MAPK10MAPTGRM6POLBALDH1A1
SCHEMBL13861476 0.72 MAPT (0.61) MAPK8MAPK9MAPK10MAPTPOLB
SCHEMBL1483718 0.72 CSNK2A2 (0.39) MAPTGRM6POLBALDH1A1TSHR
SCHEMBL10713730 0.71 ADRA2A (0.63) ADRA2AADRA2BADRA2CMAPTGRM6
SCHEMBL2901274 0.71 CYP3A4 (0.41) MAPTPOLBCYP3A4ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 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-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT ADRA2A 3063/4885ADRA2B 2287/4885ADRA2C 2414/4885

“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.