SCHEMBL19948917

SCHEMBL19948917

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NT5E P21589 6/20 0.37
ADORA3 P0DMS8 2/20 0.36
PDE2A O00408 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ADRA1A P35348 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
CD79B P40259 1/20 0.35
CD99 P14209 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL20305246 0.90 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20347372 0.86 LMNA (0.42) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19961932 0.86 LMNA (0.42) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19948890 0.86 LMNA (0.37) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20347303 0.86 ADORA3 (0.44) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20347235 0.85 LMNA (0.44) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20305395 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL20305394 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL30262559 0.85 PDE2A (0.47) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19948581 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 US disclosed
US-11174261-B2 2021-11-16 US disclosed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 US disclosed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 US disclosed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 EP disclosed
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 WO disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 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 (5 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-11174261-B2 ENTPD5, NT5E, ENTPD1 LMNA 2528/4885TP53 306/4885ALDH1A1 119/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 LMNA 2056/4885TP53 1632/4885ALDH1A1 367/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 LMNA 2684/4885TP53 2516/4885ALDH1A1 527/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 LMNA 2056/4885TP53 1632/4885ALDH1A1 367/4885
US-20200087310-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.