SCHEMBL18716016

SCHEMBL18716016

CC(C)(NC(=O)[C@H](Cc1c[nH]cn1)NOCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MDM2 Q00987 7/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 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
SCHEMBL30195106 0.89 MDM4 (0.46) MDM4TP53MDM2CASP3
SCHEMBL16278331 0.89 MDM4 (0.46) MDM4TP53MDM2CASP3
SCHEMBL15067200 0.89 MDM4 (0.46) MDM4TP53MDM2CASP3
Trifluoroacetic Acid SCHEMBL31494720 0.86 MDM4 (0.43) MDM4TP53MDM2CASP3
Trifluoroacetic Acid SCHEMBL29125245 0.86 MDM4 (0.43) MDM4TP53MDM2CASP3
SCHEMBL30195131 0.80 PTPN1 (0.44) MDM4TP53MDM2CASP3
SCHEMBL29125239 0.79 MDM4 (0.40) MDM4TP53MDM2CASP3
SCHEMBL1405816 0.77 MDM4 (0.54) MDM4TP53MDM2CASP3
SCHEMBL1486208 0.77 MDM4 (0.54) MDM4TP53MDM2CASP3
SCHEMBL29399772 0.77 MDM4 (0.54) MDM4TP53MDM2CASP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096450-A1 Dipeptide Comprising a Non-Proteogenic Amino Acid NOVO NORDISK AS (DK) 2017-04-06 — — 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-20170096450-A1 Dipeptide Comprising a Non-Proteogenic Amino Acid DNPEP, ANPEP, NPEPPS MDM4 431/4885TP53 181/4885MDM2 329/4885

“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.

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