SCHEMBL3409876

SCHEMBL3409876

Cc1cc(CNCC(=O)OC(C)(C)C)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 1/20 0.46
ALDH1A1 P00352 2/20 0.34
CCNT1 O60563 1/20 0.34
MAPT P10636 2/20 0.33
S1PR1 P21453 1/20 0.33
PTPRC P08575 2/20 0.33
LATS1 O95835 1/20 0.33
GLA P06280 1/20 0.33
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3409899 0.77 PLAU (0.43) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL10367814 0.73 MTNR1A (0.38) VSIRALDH1A1MAPTPTPRCLATS1
SCHEMBL5201034 0.73 VSIR (0.38) VSIRALDH1A1MAPTPTPRCLATS1
SCHEMBL30931594 0.73 GRM2 (0.35) ALDH1A1STK17BSTK17AMEN1KMT2A
SCHEMBL21392140 0.71 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2A
SCHEMBL30937609 0.71 MAPKAPK2 (0.43) VSIRMAPTMAPKAPK2
SCHEMBL5004498 0.70 ALDH1A1 (0.36) VSIRALDH1A1MAPTPTPRCLATS1
SCHEMBL16355717 0.70 VSIR (0.50) VSIRCCNT1MAPTPTPRCLATS1
SCHEMBL3409879 0.69 MEN1 (0.47) ALDH1A1GLASTK17BSTK17AMEN1
SCHEMBL1227911 0.69 GAA (0.53) ALDH1A1MAPTS1PR1MEN1KMT2A

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 VSIR 4412/4885ALDH1A1 2956/4885CCNT1 3574/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB VSIR 4482/4885ALDH1A1 2860/4885CCNT1 3453/4885

“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.