SCHEMBL20347382

SCHEMBL20347382

CC(=O)C(C#N)OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)[C@H](OC(=O)OC(C)(C)C)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NT5E P21589 17/20 0.39
CD99 P14209 1/20 0.38
CD79B P40259 1/20 0.36
ADORA3 P0DMS8 2/20 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
SCHEMBL20347383 0.90 NT5E (0.45) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20347234 0.87 NT5E (0.46) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20347237 0.85 LMNA (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20347235 0.85 LMNA (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20347238 0.84 NT5E (0.40) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20305246 0.81 LMNA (0.49) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL19948520 0.80 NT5E (0.55) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20347385 0.80 ALDH1A1 (0.37) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20347236 0.80 ALDH1A1 (0.41) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL20347375 0.78 NT5E (0.45) ALDH1A1LMNATP53MAPTTDP1

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 ALDH1A1 527/4885LMNA 2684/4885TP53 2516/4885

“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.