SCHEMBL14348140

SCHEMBL14348140

CCCCS(=O)(=O)C[C@@H](NC(=O)n1cc(C)cn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.50
CTSD P07339 10/20 0.50
CTSB P07858 9/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL14348135 0.92 BACE1 (0.56) BACE1CTSDCTSB
SCHEMBL14348139 0.90 BACE1 (0.49) BACE1CTSDCTSB
SCHEMBL14348136 0.87 CTSB (0.65) BACE1CTSB
SCHEMBL4664386 0.86 BACE1 (0.56) BACE1CTSDCTSBCYP3A4
SCHEMBL4664471 0.86 BACE1 (0.64) BACE1CTSDCTSBCYP3A4
SCHEMBL5580021 0.86 BACE1 (0.39) BACE1CTSDCTSBCYP3A4
SCHEMBL14348124 0.84 BACE1 (0.56) BACE1CTSDCTSBCYP3A4
SCHEMBL4666401 0.83 BACE1 (0.59) BACE1CTSDCYP3A4
SCHEMBL14131642 0.81 BACE1 (0.37) BACE1CTSDCTSB
SCHEMBL4666291 0.79 BACE1 (0.51) BACE1CTSDCTSBCYP3A4

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-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 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-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 BACE1 67/4885CTSD 2851/4885CTSB 2593/4885

“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.