SCHEMBL6844181

SCHEMBL6844181

CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H](COC1CCCCO1)OS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.35
CTSS P25774 4/20 0.35
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
ITGAV P06756 1/20 0.31
ITGB6 P18564 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
EPHX1 P07099 1/20 0.31
CACNA1B Q00975 1/20 0.30
ATM Q13315 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL17457748 0.79 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1195750 0.79 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL8306861 0.79 CTSK (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL5903933 0.76 PPARA (0.32) CTSKCTSS
SCHEMBL5146358 0.76 CTSS (0.45) CTSKCTSSKMT2AMEN1CA12
SCHEMBL13086343 0.75 CTSK (0.38) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL14561017 0.74 CTSK (0.38) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL17471219 0.74 CTSK (0.38) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL14561015 0.74 CTSK (0.38) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL17471221 0.73 CTSK (0.42) CTSKCTSSHDAC4HDAC1HDAC6

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-20040101932-A1 Compositions and methods for targeted enzymatic release of cell regulatory compounds MARKER GENE TECHNOLOGIES, INC. 2004-05-27 US disclosed
US-6656917-B1 Enzyme encoded by vector recognizes and binds to the inactive conjugate, and releases the bioactive compound from conjugation in an amount effective to enhance growth MARKER GENE TECHNOLOGIES, INC. 2003-12-02 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-20040101932-A1 Compositions and methods for targeted enzymatic release of cell regulatory compounds GUSB, PREP, PEPD CTSK 291/4885CTSS 123/4885HDAC4 1513/4885

“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.