SCHEMBL20347283

SCHEMBL20347283

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 17/20 0.44
CD99 P14209 1/20 0.39
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20305373 0.89 NT5E (0.45) NT5ECD99HTR2CHTR2B
SCHEMBL20347253 0.89 NT5E (0.40) NT5ECD99HTR2CHTR2BALDH1A1
SCHEMBL19961887 0.86 NT5E (0.52) NT5ECD99ALDH1A1LMNATP53
SCHEMBL20347282 0.86 NT5E (0.48) NT5ECD99HTR2CHTR2BALDH1A1
SCHEMBL19961890 0.85 NT5E (0.42) NT5ECD99HTR2CHTR2BALDH1A1
SCHEMBL20347279 0.85 NT5E (0.48) NT5ECD99HTR2CHTR2BALDH1A1
SCHEMBL20347304 0.84 NT5E (0.51) NT5ECD99HTR2CHTR2BALDH1A1
SCHEMBL20334139 0.84 NT5E (0.43) NT5ECD99HTR2CHTR2BALDH1A1
SCHEMBL20347302 0.84 NT5E (0.49) NT5ECD99ALDH1A1LMNATP53
SCHEMBL20347234 0.83 NT5E (0.46) NT5ECD99HTR2CHTR2BALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 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 (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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885CD99 2641/4885HTR2C 448/4885

“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.