SCHEMBL22807183

SCHEMBL22807183

CCOC(=O)C(OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O1)c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 16/20 0.40
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CD79B P40259 1/20 0.32
CD99 P14209 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
SCHEMBL20347253 0.87 NT5E (0.40) NT5EHTR2CHTR2BALDH1A1LMNA
SCHEMBL20347248 0.84 NT5E (0.39) NT5EALDH1A1LMNATP53MAPT
SCHEMBL20347249 0.82 NT5E (0.36) NT5EHTR2CHTR2BALDH1A1LMNA
SCHEMBL30194829 0.80 NT5E (0.48) NT5E
SCHEMBL20347283 0.76 NT5E (0.44) NT5EHTR2CHTR2BALDH1A1LMNA
SCHEMBL22807217 0.76 NT5E (0.44) NT5E
SCHEMBL20347251 0.76 NT5E (0.44) NT5E
SCHEMBL20334131 0.76 NT5E (0.53) NT5ECD99
SCHEMBL20347252 0.75 TYMP (0.42) NT5E
SCHEMBL20347254 0.74 NT5E (0.53) 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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2022-11-17 US disclosed
EP-3986894-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2022-04-27 EP disclosed
WO-2020257429-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2020-12-24 WO 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 (1 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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885HTR2C 448/4885HTR2B 556/4885

“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.