SCHEMBL2397238

SCHEMBL2397238

COc1ccc(SCc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 11/20 0.59
QPCTL Q9NXS2 2/20 0.53
TSHR P16473 5/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 6/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 5/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PLA2G1B P04054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL2398830 0.83 QPCT (0.83) QPCTQPCTLHPGD
SCHEMBL2397450 0.82 QPCT (0.85) QPCTQPCTLTSHRMAPK1HPGD
SCHEMBL2395047 0.82 QPCT (0.67) QPCT
SCHEMBL2398712 0.79 QPCT (0.62) QPCTQPCTLTSHRMAPK1HPGD
SCHEMBL2397330 0.78 QPCTL (0.85) QPCTQPCTLHPGDKDM4E
SCHEMBL2397644 0.77 QPCT (0.85) QPCTQPCTLTSHRHPGDALDH1A1
SCHEMBL2396677 0.76 QPCT (0.68) QPCTQPCTLTSHRMAPK1HPGD
SCHEMBL2397750 0.76 QPCTL (0.85) QPCTQPCTLTSHRHPGDALDH1A1
SCHEMBL1706167 0.75 QPCT (0.84) QPCTQPCTL
SCHEMBL1705743 0.75 QPCT (0.85) QPCTTSHRALDH1A1MAPTLMNA

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 7 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
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
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 QPCT 1/4885QPCTL 5/4885TSHR 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.