SCHEMBL17195657

SCHEMBL17195657

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(NC(=O)OCc2ccccc2)nc1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
POLB P06746 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC29A1 Q99808 1/20 0.44
ABL1 P00519 3/20 0.42
RIN1 Q13671 3/20 0.42
RAB9A P51151 1/20 0.42
ADORA2A P29274 1/20 0.42
P2RY6 Q15077 3/20 0.40
P2RY2 P41231 2/20 0.40
P2RY4 P51582 2/20 0.40
NT5E P21589 1/20 0.39
P2RY14 Q15391 1/20 0.39
MAP3K5 Q99683 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
SCHEMBL31216570 0.90 PDE4D (0.48) POLBPDE4DPDE3ASLC29A1ABL1
SCHEMBL121933 0.89 PDE4D (0.58) POLBPDE4DPDE3ASLC29A1ABL1
SCHEMBL18270576 0.89 PDE4D (0.58) POLBPDE4DPDE3ASLC29A1ABL1
SCHEMBL19698977 0.89 PDE4D (0.58) POLBPDE4DPDE3ASLC29A1ABL1
SCHEMBL13160956 0.89 PDE4D (0.58) POLBPDE4DPDE3ASLC29A1ABL1
SCHEMBL19229320 0.88 PDE4D (0.47) POLBPDE4DPDE3ASLC29A1ABL1
SCHEMBL19402559 0.86 P2RY6 (0.53) ADORA3PDE4DPDE3ASLC29A1ADORA2A
SCHEMBL19534943 0.86 P2RY6 (0.53) ADORA3PDE4DPDE3ASLC29A1ADORA2A
SCHEMBL4357740 0.85 ABL1 (0.58) ADORA3POLBPDE4DPDE3ASLC29A1
SCHEMBL18561538 0.85 ABL1 (0.58) ADORA3POLBPDE4DPDE3ASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022242-A1 NOVEL ANTIVIRAL AND ANTITUMORAL COMPOUNDS Katholieke Universiteit Leuven, KU LEUVEN R&D (BE) 2017-01-26 US disclosed
US-20170022242-A1 NOVEL ANTIVIRAL AND ANTITUMORAL COMPOUNDS Katholieke Universiteit Leuven, KU LEUVEN R&D (BE) 2017-01-26 US disclosed
WO-2015158913-A1 NOVEL ANTIVIRAL AND ANTITUMORAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-22 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-20170022242-A1 NOVEL ANTIVIRAL AND ANTITUMORAL COMPOUNDS PNP, NTPCR, ENTPD5 ADORA3 362/4885POLB 237/4885PDE4D 1194/4885

“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.