SCHEMBL4769110

SCHEMBL4769110

O=C(O)N[C@@H](CC1CCCCC1)C(=O)NC1CCCNCC1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 17/20 0.42
CPN1 P15169 1/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CYP3A4 P08684 2/20 0.37
CPB1 P15086 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL4769116 1.00 CPB2 (0.42) CPB2CPN1CTSSCTSKCYP3A4
SCHEMBL5096660 0.83 CTSS (0.56) CPB2CTSSCTSK
SCHEMBL3956512 0.81 CTSK (0.40) CTSK
SCHEMBL3956504 0.81 CTSK (0.40) CTSK
SCHEMBL5983633 0.80 CPB2 (0.39) CPB2CPN1
SCHEMBL8337496 0.78 ALDH1A1 (0.51) CTSSCTSKCTSL
SCHEMBL4763256 0.78 ALDH1A1 (0.45) CTSL
SCHEMBL4763260 0.78 ALDH1A1 (0.45) CTSL
SCHEMBL13737104 0.74 CPB2 (0.55) CPB2CTSSCTSKCTSLCTSB
SCHEMBL7428797 0.74 CPN1 (0.38) CPB2CPN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 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-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP CPB2 29/4885CPN1 10/4885CTSS 15/4885

“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.