SCHEMBL3412811

SCHEMBL3412811

CCOC(=O)C(C(=O)C(=CN(C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MDM4 O15151 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3407979 0.91 MMP8 (0.43) MMP8MEN1KMT2ANPC1CA12
SCHEMBL19040949 0.79 ALDH1A1 (0.51) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8936806 0.79 ALDH1A1 (0.51) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL11228384 0.77 MMP8 (0.66) MMP8MEN1KMT2ANPC1CA12
SCHEMBL25735405 0.76 ALDH1A1 (0.54) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL31339145 0.76 ALDH1A1 (0.54) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL266419 0.76 MMP8 (0.74) MMP8MEN1KMT2ANPC1CA12
SCHEMBL6908528 0.75 MMP8 (0.64) MMP8MEN1KMT2ANPC1CA12
SCHEMBL6558799 0.75 MMP8 (0.64) MMP8MEN1KMT2ANPC1CA12
SCHEMBL31069943 0.75 MMP8 (0.72) MMP8MEN1KMT2ANPC1CA12

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 6 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
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
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 MMP8 3027/4885MEN1 1852/4885KMT2A 2755/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MMP8 3031/4885MEN1 1873/4885KMT2A 2670/4885

“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.

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