SCHEMBL4409465

SCHEMBL4409465

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.49
ELANE P08246 2/20 0.47
XIAP P98170 1/20 0.43
MLX Q9UH92 1/20 0.43
CTRC Q99895 2/20 0.43
BIRC2 Q13490 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2769300 0.84 XIAP (0.44) ELANEXIAPMLXBIRC2MEN1
SCHEMBL4408100 0.83 CMA1 (0.44) CMA1ELANECTRCMEN1KMT2A
SCHEMBL4406392 0.82 CMA1 (0.43) CMA1ELANEXIAPMLXMEN1
SCHEMBL4412440 0.81 CMA1 (0.46) CMA1ELANECTRCKMT2A
Trifluoroacetic Acid SCHEMBL1509589 0.80 XIAP (0.53) CMA1ELANEXIAPMLXMEN1
Trifluoroacetic Acid SCHEMBL27641390 0.80 XIAP (0.53) CMA1ELANEXIAPMLXMEN1
SCHEMBL30688534 0.77 CMA1 (0.76) CMA1ELANECTRCMEN1KMT2A
SCHEMBL19369984 0.76 CMA1 (0.45) CMA1ELANE
SCHEMBL22424812 0.75 CMA1 (0.65) CMA1ELANECTRCKMT2A
SCHEMBL20859022 0.74 CMA1 (0.58) CMA1ELANECTRC

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
US-7608577-B2 Peptidyl ketones as inhibitors of DPIV OSI PHARMACEUTICALS, INC. (US) 2009-10-27 US disclosed
US-20030148961-A1 Peptidyl ketones as inhibitors of DPIV PROSIDION LIMITED (GB) 2003-08-07 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-20030148961-A1 Peptidyl ketones as inhibitors of DPIV GLS, SLC5A1, BCKDK CMA1 889/4885ELANE 1996/4885XIAP 1058/4885

“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.