SCHEMBL21450282

SCHEMBL21450282

COC(=O)c1ccccc1OP(=O)(CP(=O)(Oc1ccccc1C(=O)OC)Oc1ccccc1C(=O)OC)OC[C@@H](OC)[C@@H](O)Cn1cnc2c(N(C)C3CCCC3)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.41
▸ P2RY1 P47900 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ YTHDC1 Q96MU7 2/20 0.31
▸ CDK1 P06493 1/20 0.30

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
SCHEMBL19370346 0.89 NT5E (0.41) NT5EALDH1A1TSHRCDK1
SCHEMBL19370330 0.84 NT5E (0.42) NT5EP2RY1CDK1
SCHEMBL19100595 0.79 NT5E (0.66) NT5E
SCHEMBL28740274 0.77 NT5E (0.63) NT5E
SCHEMBL19366704 0.77 NT5E (0.63) NT5E
SCHEMBL21450326 0.77 NT5E (0.44) NT5ECDK1
SCHEMBL22866503 0.73 NT5E (0.42) NT5ECDK1
SCHEMBL21450327 0.72 NT5E (0.42) NT5ECDK1
SCHEMBL19370224 0.66 NT5E (0.73) NT5E
SCHEMBL19370293 0.66 NT5E (0.73) 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-10981944-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2021-04-20 — — US disclosed
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2019-10-10 — — 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-10981944-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885P2RY1 75/4885ALDH1A1 1423/4885
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E NT5E 3/4885P2RY1 76/4885ALDH1A1 1449/4885

“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.

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