SCHEMBL3278069

SCHEMBL3278069

O=C1CSC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
GSK3A P49840 2/20 0.55
GSK3B P49841 2/20 0.55
KCNN4 O15554 7/20 0.48
ALDH1A1 P00352 1/20 0.48
PIM1 P11309 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TACR1 P25103 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL5461421 0.85 KCNN4 (0.65) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL5455248 0.84 POLB (0.73) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL5464665 0.83 POLB (0.55) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL5464663 0.83 POLB (0.55) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL5468557 0.80 ALDH1A1 (0.52) POLBGSK3AGSK3BALDH1A1HDAC1
SCHEMBL5462616 0.79 GSK3A (0.60) POLBGSK3AGSK3BALDH1A1PIM1
SCHEMBL7252535 0.76 GSK3A (0.82) POLBGSK3AGSK3BALDH1A1PIM1
SCHEMBL5454942 0.76 PIM1 (0.51) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL5454874 0.76 GSK3A (0.65) POLBGSK3AGSK3BALDH1A1PIM1
SCHEMBL5469987 0.76 GSK3A (0.60) POLBGSK3AGSK3BALDH1A1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (8 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 POLB 2247/4885GSK3A 256/4885GSK3B 363/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 POLB 3923/4885GSK3A 586/4885GSK3B 1164/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 POLB 3649/4885GSK3A 1386/4885GSK3B 2161/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT POLB 3528/4885GSK3A 1357/4885GSK3B 2003/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 POLB 3236/4885GSK3A 2857/4885GSK3B 2838/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 POLB 4012/4885GSK3A 331/4885GSK3B 516/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR POLB 3737/4885GSK3A 1166/4885GSK3B 1949/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR POLB 3792/4885GSK3A 1257/4885GSK3B 2006/4885

“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.