SCHEMBL29460434

SCHEMBL29460434

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.54
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CA2 P00918 3/20 0.47
▸ BACE1 P56817 12/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29460433 0.86 AKT1 (0.44) AKT1CA2BACE1BACE2
SCHEMBL23983014 0.81 HTT (0.38) AKT1
SCHEMBL23983089 0.81 HTT (0.38) AKT1
Hydrochloric Acid SCHEMBL23113767 0.80 HTT (0.37) AKT1
Hydrochloric Acid SCHEMBL31441168 0.80 HTT (0.37) AKT1
SCHEMBL23983044 0.79 GRPR (0.38) AKT1
Trifluoroacetic Acid SCHEMBL29460421 0.79 AKT1 (0.40) AKT1
Trifluoroacetic Acid SCHEMBL31441167 0.79 AKT1 (0.36) AKT1
Trifluoroacetic Acid SCHEMBL23113768 0.79 AKT1 (0.36) AKT1
SCHEMBL22648530 0.78 CTSS (0.60) CTSSCTSKCA2BACE1BACE2

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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE ASTELLAS PHARMA INC. (JP) 2022-04-07 — — US disclosed
US-20220096653-A1 CONJUGATE COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT ASTELLAS PHARMA INC. (JP) 2022-03-31 — — 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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE MUC1, CA14, CA13 AKT1 4878/4885CTSS 1163/4885CTSK 902/4885
US-20220096653-A1 CONJUGATE COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT SIGLEC7, TNFSF11, FCGR2A AKT1 4860/4885CTSS 2536/4885CTSK 2370/4885

“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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