SCHEMBL2632353

SCHEMBL2632353

CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H]([C@@H](C)O)N1C[C@@H](NC(=O)[C@H](N)CCCNC(=N)N)CC1=O)C(C)C)C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NPY4R P50391 10/20 0.41
NPY1R P25929 7/20 0.41
NPY5R Q15761 7/20 0.41
NPY2R P49146 4/20 0.41
BACE1 P56817 6/20 0.40
BACE2 Q9Y5Z0 2/20 0.40
CTSD P07339 1/20 0.38
EGFR P00533 1/20 0.38
TFPI P10646 1/20 0.38

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
SCHEMBL2632351 1.00 KEAP1 (0.42) KEAP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL10074918 0.91 NPY4R (0.55) KEAP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL2632420 0.88 KEAP1 (0.42) KEAP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL10074914 0.87 NPY4R (0.55) KEAP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL2632331 0.87 NPY4R (0.51) KEAP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL2632215 0.85 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL2632397 0.85 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL13188101 0.84 KEAP1 (0.36) KEAP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL13187702 0.84 KEAP1 (0.36) KEAP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL13188059 0.83 NPY4R (0.52) KEAP1NPY4RNPY1RNPY5RNPY2R

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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 US disclosed
WO-2010106441-A2 PEPTIDOMIMETICS FOR MODULATING INTERLEUKIN-1 RECEPTOR CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA) 2010-09-23 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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS KEAP1 4065/4885NPY4R 2134/4885NPY1R 2063/4885

“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.