SCHEMBL6043935

SCHEMBL6043935

CCCCN1CCSc2c(-c3ncco3)cc(C(=O)NC(CO)Cc3cc(F)cc(F)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.36
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
RXFP1 Q9HBX9 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6044247 0.87 MAPT (0.41) MAPTGAARXFP1MEN1KMT2A
SCHEMBL6044266 0.86 BACE1 (0.38) BACE1
SCHEMBL6044229 0.86 BACE1 (0.37) BACE1
SCHEMBL6044947 0.86 BACE1 (0.36) BACE1
SCHEMBL6044446 0.82 BACE1 (0.37) BACE1
SCHEMBL6044088 0.82 BACE1 (0.37) BACE1
SCHEMBL6043053 0.82 BACE1 (0.38) BACE1
SCHEMBL6044129 0.81 BACE1 (0.36) BACE1
SCHEMBL6044043 0.81 BACE1 (0.37) BACE1
SCHEMBL6043857 0.80 BACE1 (0.36) BACE1

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-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 US claimed
US-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 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-20060100196-A1 Substituted amines for the treatment of alzheimer's disease BACE1, APP, BACE2 BACE1 1/4885MAPT 27/4885GAA 33/4885

“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.