SCHEMBL23914896

SCHEMBL23914896

O=c1c2ncn([C@@H]3OC(COCP(=O)(O)O)[C@@H](O)[C@H]3O)c2ncn1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.71
NT5E P21589 14/20 0.63

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
SCHEMBL21839710 1.00 TYMP (0.71) TYMPNT5E
SCHEMBL21349010 0.88 TYMP (0.69) TYMPNT5E
SCHEMBL7615673 0.84 TYMP (0.73) TYMP
SCHEMBL27732293 0.84 TYMP (0.73) TYMP
SCHEMBL5983454 0.84 TYMP (0.73) TYMP
SCHEMBL30394591 0.80 TYMP (0.58) TYMPNT5E
SCHEMBL21839611 0.79 DNPH1 (0.81) NT5E
SCHEMBL30395306 0.79 DNPH1 (0.81) NT5E
SCHEMBL21882983 0.79 DNPH1 (0.80) NT5E
SCHEMBL20524206 0.79 DNPH1 (0.80) NT5E

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 TYMP 28/4885NT5E 5/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E TYMP 18/4885NT5E 3/4885

“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.