SCHEMBL12873177

SCHEMBL12873177

CC(C)C(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.37
▸ BACE1 P56817 3/20 0.36
▸ BACE2 Q9Y5Z0 3/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ CASP3 P42574 4/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ ENPEP Q07075 2/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ SCTR P47872 1/20 0.33

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
SCHEMBL2742710 1.00 CALCRL (0.37) CALCRLBACE1BACE2ERBB2CASP3
SCHEMBL30788325 0.91 BACE1 (0.38) BACE1BACE2CASP3CASP7ENPEP
SCHEMBL12603082 0.89 ERBB2 (0.39) CALCRLBACE1BACE2ERBB2PTPN1
SCHEMBL29961965 0.88 CALCRL (0.37) CALCRLBACE1BACE2ERBB2ENPEP
SCHEMBL29697029 0.87 ANPEP (0.34) BACE1
SCHEMBL30009160 0.87 CALCRL (0.48) CALCRLBACE1BACE2CASP3CASP7
SCHEMBL29581498 0.86 MME (0.38) BACE1CASP3CASP7ENPEP
SCHEMBL31020882 0.86 ECE1 (0.36) PTPN1
SCHEMBL21766768 0.85 PSMB5 (0.36) CALCRLERBB2CASP3CASP7PTPN1
SCHEMBL10423889 0.84 BACE1 (0.48) CALCRLBACE1BACE2CASP3CASP7

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-20110046185-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-02-24 — — US disclosed
US-20110046185-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-02-24 — — 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-20110046185-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof PGC, LIPC, CEL CALCRL 1456/4885BACE1 4792/4885BACE2 4723/4885

“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.

Send feedback