SCHEMBL5559974

SCHEMBL5559974

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.67
CTSS P25774 2/20 0.67
CA2 P00918 3/20 0.56
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
CYP2D6 P10635 1/20 0.43
CAPN1 P07384 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL28969869 1.00 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL24097543 0.91 CTSK (0.63) CTSKCTSSCA2CA1CA7
SCHEMBL28969867 0.87 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL28969873 0.87 CTSS (0.69) CTSKCTSSCA2TDP1CAPN1
SCHEMBL5873406 0.86 CTSK (0.65) CTSKCTSSCA2CA1CA7
SCHEMBL13921027 0.86 CTSK (0.65) CTSKCTSSCA2CA1CA7
SCHEMBL20046440 0.86 CTSK (0.65) CTSKCTSSCA2CA1CA7
SCHEMBL7754405 0.86 CTSK (0.65) CTSKCTSSCA2CA1CA7
SCHEMBL13921005 0.86 CTSK (0.65) CTSKCTSSCA2CA1CA7
SCHEMBL28969855 0.86 CTSK (0.65) CTSKCTSSCA2CA1CA7

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-7265096-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2007-09-04 US disclosed
EP-1567169-A2 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-08-31 EP disclosed
US-20040142857-A1 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. 2004-07-22 US disclosed
WO-2004041203-A2 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-05-21 WO 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-20040142857-A1 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof TYMP, GDA, GCG CTSK 1533/4885CTSS 1486/4885CA2 3983/4885

“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.