SCHEMBL5325462

SCHEMBL5325462

CCCCOC(=O)N(OC(=O)C(C)C)C(=N)N(C)C(C(=O)O)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL5465424 0.93
SCHEMBL5455706 0.88 ALDH1A1 (0.33) ALDH1A1HCAR2
SCHEMBL5466058 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5458679 0.85 ALDH1A1 (0.31) ALDH1A1HCAR2
SCHEMBL5454725 0.84 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5459841 0.84 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5465987 0.84 ALDH1A1 (0.33) ALDH1A1HCAR2
SCHEMBL5471690 0.84
SCHEMBL5454781 0.82 L3MBTL1 (0.37) ALDH1A1
SCHEMBL3434106 0.80 ALDH1A1 (0.41) ALDH1A1HCAR2

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
WO-2007146086-A1 CREATINE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed
US-20070281996-A1 Creatine prodrugs, compositions and uses thereof XENOPORT, INC. 2007-12-06 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-20070281996-A1 Creatine prodrugs, compositions and uses thereof CKMT1A; CKMT1B, PYGM, TNNI3 ALDH1A1 2245/4885HCAR2 534/4885

“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.