SCHEMBL21882852

SCHEMBL21882852

CCOP(=O)(COCC1O[C@@H](n2ccc3c(Cl)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@H]12)OCC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
NT5E P21589 18/20 0.37
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL30393401 1.00 P2RX1 (0.37) P2RX1P2RX3P2RX4NT5ERXFP1
SCHEMBL23914955 0.94 NT5E (0.37) P2RX1P2RX3P2RX4NT5ERXFP1
SCHEMBL21839806 0.89 NT5E (0.44) NT5E
SCHEMBL21882851 0.87 NT5E (0.48) NT5E
SCHEMBL30394489 0.87 NT5E (0.48) NT5E
SCHEMBL21839661 0.85 NT5E (0.49) NT5E
SCHEMBL21839663 0.85 NT5E (0.49) NT5E
SCHEMBL21882935 0.85 NT5E (0.49) NT5E
SCHEMBL22215066 0.85 P2RX1 (0.47) P2RX1P2RX3P2RX4NT5ERXFP1
SCHEMBL21882954 0.84 NT5E (0.38) P2RX1P2RX3P2RX4NT5E

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 P2RX1 39/4885P2RX3 37/4885P2RX4 72/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 P2RX1 20/4885P2RX3 14/4885P2RX4 33/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E P2RX1 39/4885P2RX3 37/4885P2RX4 72/4885

“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.