SCHEMBL5170605

SCHEMBL5170605

CC(C)CC(NC(=O)OC(C)(C)C)C(O)CCl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CYP2D6 P10635 1/20 0.47
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
REN P00797 2/20 0.41
BACE1 P56817 2/20 0.41
CAPN1 P07384 1/20 0.40

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
SCHEMBL6490683 1.00 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL6487911 1.00 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL7167201 0.87 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL7167204 0.87 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL7364723 0.86 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL12018725 0.86 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL10982144 0.86 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL10727796 0.84 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL10573143 0.83 CA1 (0.62) CA1CA2CA7CYP2D6CTSK
SCHEMBL15614935 0.83 CA1 (0.62) CA1CA2CA7CYP2D6CTSK

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-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US disclosed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 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-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP CA1 592/4885CA2 1642/4885CA7 1938/4885

“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.