SCHEMBL5455248

SCHEMBL5455248

O=C1CSC(=O)N1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.73
GSK3A P49840 3/20 0.64
GSK3B P49841 3/20 0.64
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
PIM1 P11309 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CHRM5 P08912 4/20 0.47
TRAP1 Q12931 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.46
KCNN4 O15554 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRM3 P20309 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7252535 0.87 GSK3A (0.82) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5468543 0.85 GSK3A (0.66) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL3278069 0.84 POLB (0.56) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5464663 0.83 POLB (0.55) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5464665 0.83 POLB (0.55) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5461421 0.82 KCNN4 (0.65) POLBGSK3AGSK3BALDH1A1GAA
SCHEMBL1555025 0.82 GSK3A (0.70) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5454906 0.80 GSK3A (0.72) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5462888 0.79 GSK3A (0.70) POLBGSK3AGSK3BHDAC1HDAC6
SCHEMBL5454963 0.79 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.