SCHEMBL5565893

SCHEMBL5565893

C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.42
CTSS P25774 4/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MLYCD O95822 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
ACE P12821 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL10908254 0.86 CTSK (0.43) CTSKCTSSATMMLYCDCTSL
SCHEMBL11115346 0.81 SMN1; SMN2 (0.44) CTSKCTSSATMCYP2C9CYP2C19
SCHEMBL3134758 0.79 PPARG (0.41) CTSKCTSSATMMLYCDCTSL
SCHEMBL8661223 0.77 PPARA (0.41) CTSKCTSSATMKMT2ACTSL
SCHEMBL7315031 0.77 CTSS (0.43) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL1624311 0.77 SMN1; SMN2 (0.51) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL14085922 0.75 CTSS (0.53) CTSKCTSSATMMEN1KMT2A
SCHEMBL8416662 0.75 CTSK (0.46) CTSKCTSSATMMEN1KMT2A
SCHEMBL1342159 0.74 PPARA (0.50) CTSKCTSSCTSLCTSBPPARA
SCHEMBL1341688 0.74 PPARA (0.50) CTSKCTSSCTSLCTSBPPARA

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 1486/4885ATM 1946/4885

“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.