SCHEMBL5348444

SCHEMBL5348444

CS(=O)(=O)Nc1nc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(I)c2)co1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.62
BACE2 Q9Y5Z0 1/20 0.54
CTSD P07339 2/20 0.49
CTSB P07858 4/20 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
SCHEMBL7614139 1.00 BACE1 (0.62) BACE1BACE2CTSDCTSB
SCHEMBL5348450 1.00 BACE1 (0.62) BACE1BACE2CTSDCTSB
SCHEMBL7614147 1.00 BACE1 (0.62) BACE1BACE2CTSDCTSB
SCHEMBL3351770 0.93 BACE1 (0.61) BACE1BACE2CTSDCTSB
SCHEMBL3351781 0.93 BACE1 (0.61) BACE1BACE2CTSDCTSB
SCHEMBL3349546 0.92 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL3349557 0.92 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL5343508 0.92 BACE1 (0.56) BACE1CTSDCTSB
SCHEMBL5343513 0.92 BACE1 (0.56) BACE1CTSDCTSB
SCHEMBL3351172 0.91 BACE1 (0.58) BACE1BACE2CTSDCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US claimed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed

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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885BACE2 9/4885CTSD 2080/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885BACE2 11/4885CTSD 1351/4885

“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.