SCHEMBL23907387

SCHEMBL23907387

CP(=O)(O)OOC[C@H]1O[C@@H](n2ccc3c(NC4CCCCC4)nc(C#N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
NT5E P21589 16/20 0.46
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL23907536 0.99 NT5E (0.47) CTSLCTSSCTSKNT5EADORA1
SCHEMBL23907430 0.98 NT5E (0.45) CTSLCTSSCTSKNT5EADORA1
SCHEMBL23907546 0.93 NT5E (0.41) CTSLCTSSCTSKNT5EADORA1
SCHEMBL23907534 0.92 NT5E (0.46) NT5EADORA1ADORA3ADORA2ATAS1R3
SCHEMBL23907405 0.91 NT5E (0.42) CTSLCTSSCTSKNT5EADORA1
SCHEMBL23907390 0.90 ADORA1 (0.45) NT5EADORA1ADORA3ADORA2ATAS1R3
SCHEMBL23907422 0.90 ADORA1 (0.43) NT5EADORA1ADORA3ADORA2ATAS1R3
SCHEMBL23907514 0.90 ADORA1 (0.48) NT5EADORA1ADORA3ADORA2ATAS1R3
SCHEMBL23907537 0.90 NT5E (0.45) NT5EADORA1ADORA3ADORA2ATAS1R3
SCHEMBL23907488 0.89 ADORA3 (0.57) NT5EADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 CTSL 1567/4885CTSS 965/4885CTSK 1117/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E CTSL 1251/4885CTSS 854/4885CTSK 800/4885

“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.