SCHEMBL5130775

SCHEMBL5130775

CCCN(CCC)S(=O)(=O)CCC(=O)N(Cc1ccccc1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.39
BACE1 P56817 6/20 0.38
CTSD P07339 3/20 0.38
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA4 P22748 3/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL5117911 0.90 BACE1 (0.46) BACE1CTSDBACE2
SCHEMBL5123181 0.87 SPPL2A (0.35) SPPL2ABACE1CTSDBACE2
SCHEMBL5118490 0.84 BACE1 (0.40) BACE1CTSD
SCHEMBL5117203 0.84 BACE1 (0.48) BACE1CTSDBACE2KMT2A
SCHEMBL5129759 0.84 CTSD (0.41) SPPL2ABACE1CTSDCA12CA1
SCHEMBL5120800 0.83 CTSD (0.41) SPPL2ABACE1CTSDPKMMAPT
SCHEMBL5130260 0.82 BACE1 (0.47) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL5579492 0.81 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL5125809 0.81 SPPL2A (0.37) SPPL2ABACE1CTSD
Hydrochloric Acid SCHEMBL5122874 0.81 BACE1 (0.46) BACE1CTSDBACE2

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-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US disclosed
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 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-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 SPPL2A 329/4885BACE1 1/4885CTSD 100/4885

“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.