SCHEMBL25901357

SCHEMBL25901357

CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC2(CNC1=O)COC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ ITGAV P06756 4/20 0.32
▸ ITGB8 P26012 3/20 0.31
▸ PLA2G10 O15496 1/20 0.31
▸ PLA2G5 P39877 1/20 0.31
▸ ITGB6 P18564 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL25903249 0.81 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL25901374 0.79 DDB1 (0.34) ITGB3ITGA2BITGAVITGB8ITGB6
SCHEMBL21428993 0.78 L3MBTL1 (0.39) ABCG2
SCHEMBL21429011 0.71 TACR2 (0.48) —
SCHEMBL21428930 0.71 TACR2 (0.48) —
SCHEMBL21428931 0.71 GHSR (0.40) ITGB3ITGAVITGB8
SCHEMBL22928958 0.71 L3MBTL1 (0.38) —
SCHEMBL22928996 0.70 TACR2 (0.40) —
SCHEMBL21430237 0.69 HDAC3 (0.48) —
SCHEMBL21428994 0.67 MMP3 (0.39) ITGB3ITGAVITGB8ITGB6

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-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 — — 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-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA ITGB3 4027/4885ITGA2B 4354/4885ABCG2 2732/4885

“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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