SCHEMBL23907437

SCHEMBL23907437

CP(=O)(O)OOC[C@H]1O[C@@H](n2cnc3c(NCCO)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.62
P2RX2 Q9UBL9 2/20 0.62
DNPH1 O43598 2/20 0.58
SLC29A1 Q99808 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
NT5E P21589 1/20 0.55
ADORA1 P30542 3/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL23907510 0.95 P2RX3 (0.64) P2RX3P2RX2DNPH1SLC29A1TAS1R3
SCHEMBL23907433 0.92 P2RX3 (0.61) P2RX3P2RX2DNPH1SLC29A1TAS1R3
SCHEMBL23907411 0.88 ADORA3 (0.70) P2RX3P2RX2DNPH1SLC29A1NT5E
SCHEMBL23907435 0.86 TAS1R3 (0.72) SLC29A1TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL23907467 0.86 DNPH1 (0.68) P2RX3P2RX2DNPH1SLC29A1NT5E
SCHEMBL21839592 0.86 P2RX3 (0.61) P2RX3P2RX2DNPH1SLC29A1TAS1R3
SCHEMBL30394180 0.86 P2RX3 (0.61) P2RX3P2RX2DNPH1SLC29A1TAS1R3
SCHEMBL23907414 0.85 DNPH1 (0.67) P2RX3P2RX2DNPH1SLC29A1NT5E
SCHEMBL23907403 0.84 TAS1R3 (0.78) SLC29A1TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL23907421 0.84 TAS1R3 (0.75) SLC29A1TAS1R3TAS1R1ADORA1ADORA3

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 P2RX3 14/4885P2RX2 17/4885DNPH1 1090/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E P2RX3 37/4885P2RX2 35/4885DNPH1 297/4885

“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.