SCHEMBL3408059

SCHEMBL3408059

N#CC(CC(=O)c1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
GSK3B P49841 2/20 0.46
PDPK1 O15530 1/20 0.46
MMP1 P03956 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
DPP4 P27487 5/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL13664176 0.79 PTPN1 (0.54) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL11158880 0.77 PTPN1 (0.51) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL133449 0.71 PTPN1 (0.59) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL19642328 0.71 PDPK1 (0.65) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL18860300 0.71 PTPN1 (0.59) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL7343509 0.69 HDAC1 (0.57) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL11780105 0.68 PDPK1 (0.61) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL7338185 0.68 HDAC1 (0.60) PTPN1GSK3BPDPK1MMP1CES2
SCHEMBL14364710 0.68 GSK3B (0.47) PTPN1GSK3BCES2CES1DPP4
SCHEMBL29987081 0.68 PTPN1 (0.75) PTPN1GSK3BPDPK1MMP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
CN-101952275-B Modulators for amyloid protein beta HOFFMANN LA ROCHE 2014-06-18 CN disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PTPN1 4060/4885GSK3B 597/4885PDPK1 1452/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PTPN1 4025/4885GSK3B 593/4885PDPK1 1422/4885

“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.