SCHEMBL5464665

SCHEMBL5464665

O=C1CSC(=O)N1Cc1ccc(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KCNN4 O15554 6/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
PIM1 P11309 2/20 0.41
AHR P35869 1/20 0.40
PIK3CG P48736 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL5464663 1.00 POLB (0.55) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5455248 0.83 POLB (0.73) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL3278069 0.83 POLB (0.56) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5455190 0.80 GSK3A (0.74) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5455188 0.80 GSK3A (0.74) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL7252535 0.77 GSK3A (0.82) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5461421 0.76 KCNN4 (0.65) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL5468557 0.75 ALDH1A1 (0.52) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL6693108 0.74 GSK3A (0.59) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL1555025 0.72 GSK3A (0.70) POLBGSK3AGSK3BHDAC1HDAC6

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 POLB 3236/4885GSK3A 2857/4885GSK3B 2838/4885

“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.