SCHEMBL20097934

SCHEMBL20097934

CCCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.50
MMP3 P08254 10/20 0.46
MMP9 P14780 7/20 0.46
BIRC2 Q13490 2/20 0.42
MMP1 P03956 2/20 0.42
PLA2G2A P14555 2/20 0.37
PLA2G5 P39877 2/20 0.37

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
SCHEMBL23613615 0.88 CTSK (0.51) CTSKMMP3MMP9BIRC2MMP1
SCHEMBL23394724 0.84 CAPN1 (0.42) CTSKMMP3MMP9BIRC2
SCHEMBL14876797 0.84 CTSK (0.56) CTSKPLA2G2APLA2G5
SCHEMBL258985 0.84 CTSK (0.56) CTSKMMP3MMP9BIRC2
SCHEMBL18328801 0.84 CTSK (0.56) CTSKMMP3MMP9BIRC2
SCHEMBL1783728 0.84 CTSK (0.56) CTSKMMP3MMP9BIRC2
SCHEMBL231491 0.84 CTSK (0.56) CTSKMMP3MMP9BIRC2
SCHEMBL4292353 0.84 CTSK (0.56) CTSKMMP3MMP9BIRC2
SCHEMBL20756961 0.84 CTSK (0.56) CTSKMMP3MMP9BIRC2
SCHEMBL1783726 0.84 CTSK (0.56) CTSKMMP3MMP9BIRC2

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-11014953-B2 Trigger-activatable metabolic sugar precursors for cancer-selective labeling and targeting THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-05-25 US disclosed
US-9956297-B2 FAP-activated proteasome inhibitors for treating solid tumors TRUSTEES OF TUFTS COLLEGE (US) 2018-05-01 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-11014953-B2 Trigger-activatable metabolic sugar precursors for cancer-selective labeling and targeting GPI, SLC2A1, SLC2A4 CTSK 667/4885MMP3 2464/4885MMP9 2906/4885

“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.