SCHEMBL21882807

SCHEMBL21882807

O=P(O)(O)COC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.79
▸ TAS1R1 Q7RTX1 1/20 0.79
▸ P2RX3 P56373 1/20 0.72
▸ P2RX2 Q9UBL9 1/20 0.72
▸ NT5E P21589 15/20 0.56
▸ RNASEL Q05823 3/20 0.56

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
SCHEMBL20266301 0.88 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL20282630 0.88 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL20277494 0.88 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL20277542 0.88 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL30969959 0.87 TAS1R3 (0.98) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL21882901 0.86 TAS1R3 (0.59) TAS1R3TAS1R1P2RX3P2RX2NT5E
SCHEMBL29395130 0.85 P2RX3 (0.98) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL29601540 0.84 P2RX3 (1.00) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL10021603 0.84 P2RX3 (1.00) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL840111 0.83 P2RX3 (0.88) TAS1R3TAS1R1P2RX3P2RX2

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-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-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 TAS1R3 3522/4885TAS1R1 3109/4885P2RX3 37/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 TAS1R3 2590/4885TAS1R1 2798/4885P2RX3 14/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E TAS1R3 3522/4885TAS1R1 3109/4885P2RX3 37/4885

“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.

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