SCHEMBL20347237

SCHEMBL20347237

CC[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 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA3 P0DMS8 5/20 0.40
NT5E P21589 11/20 0.40
CD79B P40259 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CD99 P14209 1/20 0.35

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
SCHEMBL20347235 0.93 LMNA (0.44) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20305246 0.88 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19961888 0.87 NT5E (0.46) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20347234 0.86 NT5E (0.46) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20347382 0.85 ALDH1A1 (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL30262559 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19948581 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20305395 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20305394 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19948584 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1

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

“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.