SCHEMBL29599644

SCHEMBL29599644

CC(C)(C)NC(=O)Nc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.49
▸ FPR2 P25090 10/20 0.49
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CASP3 P42574 1/20 0.45
▸ ITGB3 P05106 2/20 0.45
▸ ITGA2B P08514 2/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ ITGB5 P18084 1/20 0.45

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
SCHEMBL29402071 1.00 MDM2 (0.49) MDM2FPR2MDM4TP53CASP3
SCHEMBL14039181 0.88 MDM2 (0.62) MDM2FPR2MDM4TP53CASP3
SCHEMBL3728072 0.88 MDM2 (0.62) MDM2FPR2MDM4TP53CASP3
SCHEMBL29401511 0.88 MDM2 (0.62) MDM2FPR2MDM4TP53CASP3
SCHEMBL29445607 0.88 MDM2 (0.62) MDM2FPR2MDM4TP53CASP3
SCHEMBL2307978 0.88 MDM2 (0.62) MDM2FPR2MDM4TP53CASP3
SCHEMBL25356445 0.87 MDM4 (0.51) MDM2FPR2MDM4TP53CASP3
SCHEMBL25356446 0.87 MDM4 (0.51) MDM2FPR2MDM4TP53CASP3
SCHEMBL23421399 0.86 MDM4 (0.52) MDM2FPR2MDM4TP53CASP3
SCHEMBL23421400 0.86 MDM4 (0.52) MDM2FPR2MDM4TP53CASP3

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-11332495-B2 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix RK Pharma Solutions LLC (US) 2022-05-17 — — 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-11332495-B2 Process for the preparation of Degarelix acetate and Degarelix acetate-mannitol premix PEPD, DNPEP, PREP MDM2 29/4885FPR2 2410/4885MDM4 236/4885

“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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