SCHEMBL17014181

SCHEMBL17014181

C=CCN(CC(=O)c1cccnc1)B(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.46
GAA P10253 2/20 0.43
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42
ALDH1A1 P00352 3/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SIRT4 Q9Y6E7 1/20 0.40
HDAC1 Q13547 2/20 0.39
HTT P42858 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
SCHEMBL15294844 0.85 ALDH1A1 (0.41) PLOD2PLOD3PLOD1ALDH1A1HTT
SCHEMBL17014178 0.83 SMN1; SMN2 (0.42) PLOD2GAAPLOD3PLOD1ALDH1A1
SCHEMBL17014185 0.82 GAA (0.37) GAAKDM4ELMNAKMT2A
SCHEMBL15662054 0.82 PLOD2 (0.51) PLOD2GAAPLOD3PLOD1ALDH1A1
SCHEMBL15661764 0.78 PLOD2 (0.51) PLOD2GAAPLOD3PLOD1ALDH1A1
SCHEMBL17014177 0.77 KDM4E (0.39) GAAALDH1A1HCAR2KDM4EKMT2A
SCHEMBL17014180 0.75 CTNNB1 (0.42) GAAALDH1A1HTTKDM4ELMNA
SCHEMBL15658383 0.74 PLOD2 (0.41) PLOD2GAAPLOD3PLOD1ALDH1A1
SCHEMBL9488231 0.74 PLOD2 (0.59) PLOD2GAAPLOD3PLOD1ALDH1A1
SCHEMBL3205413 0.73 HTT (0.49) PLOD2GAAALDH1A1APPHCAR3

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-9328124-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2016-05-03 US disclosed
US-20150232483-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2015-08-20 US 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-20150232483-A1 BACE INHIBITORS BACE1, BACE2, APP PLOD2 4824/4885GAA 41/4885PLOD3 4426/4885

“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.