SCHEMBL22975668

SCHEMBL22975668

CC1(C)O[C@@H]2[C@H](O1)[C@@H](Cc1ccccc1C(=O)O)O[C@H]2n1ccc2c(NC3CCCC3)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.40
ADORA3 P0DMS8 7/20 0.38
ADORA1 P30542 7/20 0.38
ADORA2A P29274 6/20 0.38
ADORA2B P29275 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL22975669 0.84 ALDH1A1 (0.47) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL21839631 0.84 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL21839468 0.84 ADORA3 (0.42) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL26721158 0.83 ADORA3 (0.43) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL24618971 0.82 ADORA3 (0.46) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL30394639 0.82 NT5E (0.41) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL21839756 0.79 ADORA1 (0.45) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL28910208 0.79 ADORA3 (0.36) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL22975448 0.79 ADORA3 (0.39) NT5EADORA3ADORA1ADORA2A
SCHEMBL21839695 0.79 NT5E (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325938-B2 CD73 inhibitors ORIC PHARMACEUTICALS, INC. (US) 2022-05-10 US disclosed
US-20210047359-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. 2021-02-18 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-11325938-B2 CD73 inhibitors ENTPD5, NT5E, ENTPD1 NT5E 2/4885ADORA3 19/4885ADORA1 23/4885
US-20210047359-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 NT5E 2/4885ADORA3 19/4885ADORA1 23/4885

“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.