SCHEMBL23765469

SCHEMBL23765469

CCCCCCCC(=O)OCOP(=O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ccc3c(N[C@H]4C[C@@H](F)C4)c(C#N)c(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADK P55263 6/20 0.35
NT5E P21589 5/20 0.34
P2RY2 P41231 3/20 0.34
P2RY6 Q15077 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL23765474 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765351 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23752729 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765636 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765591 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765431 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765471 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765467 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765283 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B
SCHEMBL23765568 1.00 ADK (0.35) ADKNT5EP2RY2P2RY6PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 PELOTON THERAPEUTICS, INC. (US) 2021-08-19 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-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 ENTPD5, NT5E, ENTPD1 ADK 176/4885NT5E 2/4885P2RY2 55/4885

“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.