SCHEMBL5454942

SCHEMBL5454942

O=C1CSC(=O)N1Cc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
POLB P06746 1/20 0.50
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
KCNN4 O15554 7/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TRAP1 Q12931 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC5A1 P13866 3/20 0.37
SLC5A2 P31639 3/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5455248 0.79 POLB (0.73) PIM1POLBGSK3AGSK3BKCNN4
SCHEMBL5461421 0.77 KCNN4 (0.65) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL3278069 0.76 POLB (0.56) PIM1POLBGSK3AGSK3BKCNN4
SCHEMBL19423658 0.70 MAOA (0.46) ALDH1A1
SCHEMBL28677873 0.69 SMN1; SMN2 (0.42) KCNN4ALDH1A1GAASLC5A1SLC5A2
SCHEMBL5464665 0.69 POLB (0.55) PIM1POLBGSK3AGSK3BKCNN4
SCHEMBL22365226 0.69 KDM4E (0.56) POLBALDH1A1GAA
SCHEMBL8883258 0.69 CES2 (0.47)
SCHEMBL6738879 0.69 GSK3A (0.58) PIM1POLBGSK3AGSK3BALDH1A1
SCHEMBL30990560 0.68 PIM1 (1.00) PIM1POLBGSK3AGSK3BHDAC1

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 PIM1 1268/4885POLB 3236/4885GSK3A 2857/4885

“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.