SCHEMBL3594890

SCHEMBL3594890

CCCN(c1cc(N)cc(C(=O)N[C@H](C)c2ccc(F)cc2)c1)S(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.64
BACE2 Q9Y5Z0 2/20 0.51
KMT2A Q03164 1/20 0.47

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
SCHEMBL2210450 0.86 BACE1 (0.64) BACE1BACE2
SCHEMBL13043122 0.85 LMNA (0.51) BACE1BACE2KMT2A
SCHEMBL3588334 0.84 BACE1 (0.66) BACE1BACE2
SCHEMBL3595929 0.79 BACE1 (0.56) BACE1BACE2KMT2A
SCHEMBL2208816 0.79 BACE1 (0.81) BACE1
SCHEMBL13042891 0.79 KMT2A (0.58) BACE1BACE2KMT2A
SCHEMBL3600405 0.76 BACE1 (0.82) BACE1BACE2
SCHEMBL12993876 0.76 BACE1 (0.82) BACE1BACE2
SCHEMBL3602503 0.76 BACE1 (0.82) BACE1BACE2
SCHEMBL3600403 0.76 BACE1 (0.82) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 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-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885KMT2A 3379/4885

“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.