SCHEMBL13103136

SCHEMBL13103136

CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.48
CTSK P43235 11/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CAPN1 P07384 1/20 0.43
CTSC P53634 1/20 0.38

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
SCHEMBL16020764 0.89 CTSK (0.46) PSMB5CTSKCTSLCTSBCTSS
SCHEMBL16020765 0.89 CTSK (0.46) PSMB5CTSKCTSLCTSBCTSS
SCHEMBL31449985 0.85 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL31449899 0.85 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL354119 0.84 CAPN1 (0.43) PSMB5CTSKCTSLCTSBCTSS
SCHEMBL7351260 0.83 CYP2D6 (0.47) PSMB5CTSKCA1CA2CA7
SCHEMBL7351273 0.83 CYP2D6 (0.47) PSMB5CTSKCA1CA2CA7
SCHEMBL7351268 0.83 CYP2D6 (0.47) PSMB5CTSKCA1CA2CA7
SCHEMBL7400999 0.83 CYP2D6 (0.47) PSMB5CTSKCA1CA2CA7
SCHEMBL7888162 0.82 CTSK (0.43) PSMB5CTSKCA1CA2CA7

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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF PSMB5 21/4885CTSK 408/4885CTSL 515/4885

“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.