SCHEMBL23765631

SCHEMBL23765631

CCCCCCCCCCCCC(=O)OCOP(=O)(O)CS(=O)(=O)C[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)c(C#N)c(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.37
NT5E P21589 10/20 0.36
ADK P55263 4/20 0.36
P2RY2 P41231 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 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
SCHEMBL23765562 1.00 ADORA1 (0.37) ADORA1NT5EADKP2RY2ADORA3
SCHEMBL23765402 1.00 ADORA1 (0.37) ADORA1NT5EADKP2RY2ADORA3
SCHEMBL23765632 1.00 ADORA1 (0.37) ADORA1NT5EADKP2RY2ADORA3
SCHEMBL23765621 1.00 ADORA1 (0.37) ADORA1NT5EADKP2RY2ADORA3
SCHEMBL23765603 1.00 ADORA1 (0.37) ADORA1NT5EADKP2RY2ADORA3
SCHEMBL23765596 0.96 ADORA1 (0.39) ADORA1NT5EADORA3ADORA2ATAS1R3
SCHEMBL23765636 0.94 ADK (0.35) ADORA1NT5EADKP2RY2
SCHEMBL23752729 0.94 ADK (0.35) ADORA1NT5EADKP2RY2
SCHEMBL23765474 0.94 ADK (0.35) ADORA1NT5EADKP2RY2
SCHEMBL23765467 0.94 ADK (0.35) ADORA1NT5EADKP2RY2

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 ADORA1 35/4885NT5E 2/4885ADK 176/4885

“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.