SCHEMBL21839712

SCHEMBL21839712

O=C(OCOP(=O)(O)COC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NT5E P21589 16/20 0.55
ADORA3 P0DMS8 3/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2A P29274 2/20 0.48

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
SCHEMBL30394796 0.94 NT5E (0.53) NT5EADORA3ADORA1ADORA2A
SCHEMBL21839879 0.94 NT5E (0.53) NT5EADORA3ADORA1ADORA2A
SCHEMBL21882834 0.94 NT5E (0.53) NT5EADORA3ADORA1ADORA2A
SCHEMBL21839747 0.89 NT5E (0.58) NT5EADORA3ADORA1ADORA2A
SCHEMBL21882849 0.89 NT5E (0.58) NT5EADORA3ADORA1ADORA2A
SCHEMBL23907458 0.88 ADORA1 (0.50) NT5EADORA3ADORA1ADORA2A
SCHEMBL21839476 0.88 NT5E (0.57) NT5EADORA3ADORA1ADORA2A
SCHEMBL21839713 0.87 NT5E (0.56) NT5EADORA3ADORA1ADORA2A
SCHEMBL23915564 0.87 NT5E (0.56) NT5EADORA3ADORA1ADORA2A
SCHEMBL23915299 0.87 NT5E (0.41) NT5EADORA3ADORA1ADORA2A

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 6 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-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
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 US disclosed
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 US disclosed
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 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 (3 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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885ADORA3 29/4885ADORA1 34/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885ADORA3 9/4885ADORA1 16/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885ADORA3 29/4885ADORA1 34/4885

“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.