SCHEMBL1264575

SCHEMBL1264575

CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CC(=O)O)C(=O)C(F)C=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.55
CASP7 P55210 6/20 0.51
CASP1 P29466 6/20 0.51
CASP9 P55211 4/20 0.51
CASP4 P49662 3/20 0.48
CASP10 Q92851 3/20 0.47
CASP8 Q14790 2/20 0.47
ELANE P08246 1/20 0.47
REN P00797 1/20 0.46
CASP5 P51878 1/20 0.46
CASP6 P55212 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 2/20 0.46

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
SCHEMBL4438547 0.93 CTSK (0.50) CASP3CASP1CTSK
SCHEMBL811863 0.89 CASP3 (0.55) CASP3CASP7CASP1CASP9CASP4
SCHEMBL28840715 0.89 CASP3 (0.55) CASP3CASP7CASP1CASP9CASP4
SCHEMBL614741 0.86 CASP3 (0.62) CASP3CASP7CASP1CASP9CASP4
SCHEMBL3140616 0.86 CASP3 (0.62) CASP3CASP7CASP1CASP9CASP4
SCHEMBL29409608 0.85 CASP3 (0.55) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18740358 0.85 CASP3 (0.58) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20543505 0.85 CASP3 (0.58) CASP3CASP7CASP1CASP9CASP4
SCHEMBL24213871 0.84 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP8
SCHEMBL17494194 0.84 CASP3 (0.56) CASP3CASP7CASP1CASP9CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879574-B2 Folded peptide backbone each end of which is conjugated to a fluorophore, which when cleaved as by digestion with a protease, the fluorophores provide high intensity signals; histology ONCOIMMUNIN, INC. (US) 2011-02-01 US disclosed
US-20080199898-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2008-08-21 US disclosed
US-7312302-B2 Compositions for the detection of enzyme activity in biological samples and methods of use thereof ONCOLMMUNIN, INC. (US) 2007-12-25 US disclosed
US-20040096926-A1 Compositions for the detection of enzyme activity in biological samples and methods of use thereof ONCOIMMUNIN, INC. 2004-05-20 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-20040096926-A1 Compositions for the detection of enzyme activity in biological samples and methods of use thereof PRSS3, PREP, CTRL CASP3 266/4885CASP7 233/4885CASP1 265/4885

“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.