SCHEMBL4408100

SCHEMBL4408100

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.44
ELANE P08246 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BACE1 P56817 1/20 0.40
CTRC Q99895 2/20 0.39

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
SCHEMBL7209571 0.84 HTT (0.41) ELANEMEN1KMT2A
SCHEMBL4409465 0.83 CMA1 (0.49) CMA1ELANEMEN1KMT2ACTRC
SCHEMBL4405352 0.83 MEN1 (0.40) CMA1ELANEMEN1KMT2ABACE1
SCHEMBL4412440 0.81 CMA1 (0.46) CMA1ELANEKMT2ACTRC
Trifluoroacetic Acid SCHEMBL1718165 0.80 XIAP (0.47) CMA1ELANE
SCHEMBL7068303 0.77 NPC1 (0.47) MEN1KMT2A
SCHEMBL13409468 0.75 PREP (0.59) ELANE
SCHEMBL4406392 0.73 CMA1 (0.43) CMA1ELANEMEN1KMT2ABACE1
SCHEMBL13258959 0.73 CMA1 (0.51) CMA1ELANECTRC
SCHEMBL2162326 0.73 CMA1 (0.61) CMA1ELANE

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 1996/4885MEN1 4022/4885

“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.