SCHEMBL24026313

SCHEMBL24026313

CO[C@H](COC(Cc1cccc(C#N)c1)(C(=O)O)C(=O)O)[C@@H](O)[C@H](F)n1cnc2c(NC(=O)OC(C)(C)C)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NT5E P21589 17/20 0.51
CCNE2 O96020 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
YTHDC1 Q96MU7 1/20 0.31
CDC20 Q12834 1/20 0.31

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
SCHEMBL24026349 0.88 NT5E (0.49) NT5E
SCHEMBL24026239 0.83 NT5E (0.58) NT5E
SCHEMBL19968705 0.77 NT5E (0.81) NT5E
SCHEMBL24026277 0.75 NT5E (0.56) NT5E
SCHEMBL24026306 0.74 NT5E (0.55) NT5E
SCHEMBL24026395 0.73 NT5E (0.56) NT5E
SCHEMBL24026237 0.73 NT5E (0.56) NT5E
SCHEMBL24026314 0.73 NT5E (0.40) NT5E
SCHEMBL24026206 0.73 NT5E (0.58) NT5E
SCHEMBL24026393 0.73 NT5E (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 US disclosed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 US disclosed
US-11174261-B2 2021-11-16 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-11174261-B2 ENTPD5, NT5E, ENTPD1 NT5E 2/4885CCNE2 2182/4885CCNA2 505/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 NT5E 2/4885CCNE2 3553/4885CCNA2 1475/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885CCNE2 4231/4885CCNA2 2828/4885

“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.