SCHEMBL5669478

SCHEMBL5669478

C=C1CCC(NCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)OC(C)(C)C)(c2cccc(C(C)(C)C)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.73
CTSD P07339 18/20 0.73
CYP3A4 P08684 1/20 0.64

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
SCHEMBL8283987 1.00 BACE1 (0.73) BACE1CTSDCYP3A4
SCHEMBL8274589 1.00 BACE1 (0.73) BACE1CTSDCYP3A4
SCHEMBL4259811 0.92 BACE1 (0.87) BACE1CTSDCYP3A4
SCHEMBL8281526 0.92 BACE1 (0.87) BACE1CTSDCYP3A4
SCHEMBL8276698 0.92 BACE1 (0.87) BACE1CTSDCYP3A4
SCHEMBL5734242 0.91 BACE1 (0.84) BACE1CTSD
SCHEMBL4260831 0.91 BACE1 (0.70) BACE1CTSD
SCHEMBL8276750 0.91 BACE1 (0.70) BACE1CTSD
SCHEMBL8282800 0.91 BACE1 (0.70) BACE1CTSD
SCHEMBL5735490 0.90 BACE1 (0.75) BACE1CTSDCYP3A4

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
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO 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-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE BACE1 15/4885CTSD 154/4885CYP3A4 3323/4885

“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.