SCHEMBL13160992

SCHEMBL13160992

Nc1ccn([C@@H]2O[C@H](COC(=O)CCCC(=O)O)[C@@H](O)C2(F)F)c(=O)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.63
PDE4D Q08499 1/20 0.63
SLC29A1 Q99808 1/20 0.63
POLA1 P09884 2/20 0.59
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
MTOR P42345 1/20 0.41
MDM2 Q00987 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
P2RY2 P41231 1/20 0.36
P2RY6 Q15077 1/20 0.36
CACNA1F O60840 2/20 0.35
ALB P02768 2/20 0.35
MAPT P10636 2/20 0.35
CACNA1D Q01668 2/20 0.35

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
SCHEMBL24703970 1.00 PDE3A (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL24703971 1.00 PDE3A (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL21849039 0.98 PDE3A (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL17770788 0.97 PDE3A (0.62) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL9798551 0.94 PDE3A (0.66) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL23724058 0.94 PDE3A (0.66) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL9798561 0.94 PDE3A (0.66) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL21849051 0.91 PDE4D (0.63) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL4931963 0.90 PDE3A (0.62) PDE3APDE4DSLC29A1POLA1ITGB3
SCHEMBL15197943 0.90 PDE4D (0.62) PDE3APDE4DSLC29A1POLA1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585389-A Therapeutic dendrimers 星法马私人有限公司 2022-06-03 CN disclosed
US-7803785-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2010-09-28 US disclosed
US-7803785-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2010-09-28 US disclosed
US-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-01-21 US disclosed
US-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-01-21 US disclosed
US-7608602-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2009-10-27 US disclosed
US-7608602-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2009-10-27 US disclosed
US-20080021208-A1 Gemcitabine Prodrugs, Pharmaceutical Compositions and Uses Thereof XENOPORT, INC. (US) 2008-01-24 US disclosed
US-20080021208-A1 Gemcitabine Prodrugs, Pharmaceutical Compositions and Uses Thereof XENOPORT, INC. (US) 2008-01-24 US disclosed
US-7265096-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2007-09-04 US disclosed
US-7265096-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2007-09-04 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 (2 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-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TYMP, GDA, GCG PDE3A 542/4885PDE4D 974/4885SLC29A1 41/4885
US-20080021208-A1 Gemcitabine Prodrugs, Pharmaceutical Compositions and Uses Thereof TYMP, GDA, GCG PDE3A 542/4885PDE4D 974/4885SLC29A1 41/4885

“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.