SCHEMBL4405352

SCHEMBL4405352

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 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BACE1 P56817 2/20 0.40
CMA1 P23946 10/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
ELANE P08246 1/20 0.37
HTT P42858 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PREP P48147 1/20 0.35

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
SCHEMBL4406392 0.84 CMA1 (0.43) MEN1KMT2ABACE1CMA1ELANE
SCHEMBL4408100 0.83 CMA1 (0.44) MEN1KMT2ABACE1CMA1ELANE
SCHEMBL4408401 0.82 KMT2A (0.42) MEN1KMT2ABACE1CMA1ELANE
SCHEMBL4408130 0.78 HTT (0.43) MEN1KMT2AHTT
SCHEMBL4409465 0.74 CMA1 (0.49) MEN1KMT2ACMA1ELANE
SCHEMBL4412440 0.69 CMA1 (0.46) KMT2ACMA1ELANE
SCHEMBL1750701 0.69 ELANE (0.54) CMA1ELANE
SCHEMBL6294320 0.68 CTSL (0.53) MEN1KMT2ACMA1CYP3A4CYP2C9
SCHEMBL13885550 0.68 CTSL (0.53) MEN1KMT2ACMA1CYP3A4CYP2C9
SCHEMBL7466599 0.68 ABCB1 (0.50) CYP2D6

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 MEN1 4022/4885KMT2A 4302/4885BACE1 2340/4885

“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.