SCHEMBL4412440

SCHEMBL4412440

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.46
ELANE P08246 2/20 0.44
CCR1 P32246 1/20 0.44
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CTRC Q99895 2/20 0.41

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
SCHEMBL4406391 0.86 KLK5 (0.44) ALOX15TSHRCASP1
SCHEMBL4408401 0.83 KMT2A (0.42) CMA1ELANECCR1KMT2A
Trifluoroacetic Acid SCHEMBL2045650 0.82 XIAP (0.49) ELANECCR1KMT2AALOX15TSHR
SCHEMBL8263228 0.82 ACE (0.55) CMA1KMT2ACTRC
SCHEMBL4408100 0.81 CMA1 (0.44) CMA1ELANEKMT2ACTRC
SCHEMBL4409465 0.81 CMA1 (0.49) CMA1ELANEKMT2ACTRC
SCHEMBL8092675 0.79 L3MBTL1 (0.55) KMT2AALOX15TSHRCASP1
SCHEMBL13475726 0.79 PREP (0.57) ELANEALOX15TSHRCASP1
SCHEMBL13409456 0.79 PREP (0.57) ELANEALOX15TSHRCASP1
SCHEMBL30688534 0.74 CMA1 (0.76) CMA1ELANEKMT2ACTRC

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
US-7608577-B2 Peptidyl ketones as inhibitors of DPIV OSI PHARMACEUTICALS, INC. (US) 2009-10-27 US disclosed
EP-1434792-A2 PEPTIDYL KETONES AS INHIBITORS OF DPIV Probiodrug AG (DE) 2004-07-07 EP disclosed
US-20030148961-A1 Peptidyl ketones as inhibitors of DPIV PROSIDION LIMITED (GB) 2003-08-07 US disclosed
WO-2003033524-A2 PEPTIDYL KETONES AS INHIBITORS OF DPIV PROBIODRUG AG (DE) 2003-04-24 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-20030148961-A1 Peptidyl ketones as inhibitors of DPIV GLS, SLC5A1, BCKDK CMA1 889/4885ELANE 1996/4885CCR1 2144/4885

“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.