SCHEMBL5462602

SCHEMBL5462602

COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.61
HSPD1 P10809 1/20 0.58
HSPE1 P61604 1/20 0.58
PDE4B Q07343 2/20 0.57
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
GRK6 P43250 1/20 0.55
ATM Q13315 1/20 0.52
DUSP26 Q9BV47 1/20 0.52
POLB P06746 3/20 0.51
OPRK1 P41145 3/20 0.51
PSMD14 O00487 1/20 0.51
MMP2 P08253 1/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL5462605 1.00 HSD17B3 (0.61) HSD17B3HSPD1HSPE1PDE4BMEN1
SCHEMBL17225206 0.83 DUSP26 (0.70) HSD17B3HSPD1HSPE1MEN1KMT2A
SCHEMBL5461744 0.83 HSPD1 (0.70) HSD17B3HSPD1HSPE1PDE4BMEN1
SCHEMBL5461746 0.83 HSPD1 (0.70) HSD17B3HSPD1HSPE1PDE4BMEN1
SCHEMBL5455212 0.76 HSPD1 (0.85) HSD17B3HSPD1HSPE1MEN1KMT2A
SCHEMBL5455211 0.76 HSPD1 (0.85) HSD17B3HSPD1HSPE1MEN1KMT2A
SCHEMBL13236133 0.75 HSPD1 (0.75) HSD17B3HSPD1HSPE1PDE4BMEN1
SCHEMBL12297880 0.75 CFTR (0.70) HSD17B3HSPD1HSPE1MEN1KMT2A
SCHEMBL18103083 0.75 MEN1 (0.72) HSD17B3HSPD1HSPE1PDE4BMEN1
SCHEMBL20005625 0.75 MEN1 (0.72) HSD17B3HSPD1HSPE1PDE4BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 HSD17B3 2698/4885HSPD1 2213/4885HSPE1 1812/4885

“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.