SCHEMBL24049786

SCHEMBL24049786

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.71
CTSB P07858 1/20 0.71
PSEN1 P49768 8/20 0.60
PSEN2 P49810 8/20 0.60
APH1B Q8WW43 8/20 0.60
NCSTN Q92542 8/20 0.60
APH1A Q96BI3 8/20 0.60
PSENEN Q9NZ42 8/20 0.60
CTSS P25774 2/20 0.57
CTSL P07711 1/20 0.57
CTSD P07339 3/20 0.57
REN P00797 2/20 0.56

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
SCHEMBL26269169 1.00 CTSK (0.71) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL8651650 1.00 CTSK (0.71) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL29832567 0.92 CTSK (0.61) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL29770339 0.92 CTSK (0.61) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL8653583 0.91 CTSK (0.71) CTSKCTSBCTSSCTSL
SCHEMBL7697656 0.90 CTSS (0.60) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL4576421 0.90 CTSK (0.65) CTSKCTSBCTSSCTSLREN
SCHEMBL16984912 0.90 CTSK (0.65) CTSKCTSBCTSSCTSLREN
SCHEMBL25977611 0.90 CTSK (0.65) CTSKCTSBCTSSCTSLREN
SCHEMBL14493051 0.89 CTSK (0.64) CTSKCTSBCTSSCTSLREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812149-B Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof 首都医科大学 2022-04-29 CN claimed
US-20230270889-A1 Fluorescently-Traceable Amino Acid Derivative And Preparation Methods And Use Thereof Capital Medical University (CN) 2023-08-31 US disclosed
CN-113105524-B Polypeptide derivative copper complex, preparation method and application thereof, and anticancer drug 首都医科大学 2022-05-17 CN disclosed
CN-112812149-B Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof 首都医科大学 2022-04-29 CN disclosed
CN-112691081-B Paclitaxel micelle based on (S) -2-decanoylamino-3- (1-naphthyl) propionyl-leucyl-valine 首都医科大学 2022-04-22 CN disclosed
US-20210363119-A1 PROTEASOME INHIBITORS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2021-11-25 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 (2 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-20210363119-A1 PROTEASOME INHIBITORS TP53, CDKN1A, PSME1 CTSK 646/4885CTSB 975/4885PSEN1 1359/4885
US-20230270889-A1 Fluorescently-Traceable Amino Acid Derivative And Preparation Methods And Use Thereof SLC7A5, BCAT2, BCAT1 CTSK 2777/4885CTSB 3100/4885PSEN1 4697/4885

“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.