SCHEMBL4769153

SCHEMBL4769153

CC(C)CC(NC(=O)O)C(=O)NC1CC(C)CNC[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.39
CASP3 P42574 6/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 3/20 0.37
CASP6 P55212 2/20 0.37
CASP8 Q14790 2/20 0.37
CTSK P43235 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CAPN9 O14815 1/20 0.34

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
SCHEMBL4769145 1.00 CAPN1 (0.39) CAPN1CASP3CASP1CASP7CASP6
SCHEMBL3956512 0.81 CTSK (0.40) CAPN1CASP3CASP1CASP7CASP6
SCHEMBL3956504 0.81 CTSK (0.40) CAPN1CASP3CASP1CASP7CASP6
SCHEMBL6842324 0.78 CTSK (0.39) CAPN1CASP3CASP1CASP7CASP6
SCHEMBL6211927 0.78 CTSK (0.39) CAPN1CASP3CASP1CASP7CASP6
SCHEMBL4765363 0.78 CTSK (0.39) CAPN1CASP3CASP1CASP7CASP6
SCHEMBL6582003 0.72 CTSK (0.54) CAPN1CTSK
SCHEMBL4769159 0.72 GLA (0.33)
Hydrochloric Acid SCHEMBL6580714 0.69 CTSK (0.67) CTSK
SCHEMBL4080853 0.68 GAA (0.45) CAPN1CTSKMEN1KMT2ASMN1; SMN2

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 CAPN1 191/4885CASP3 122/4885CASP1 248/4885

“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.