SCHEMBL19948667

SCHEMBL19948667

CCOC(=O)C(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](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 17/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CD99 P14209 1/20 0.40
CD79B P40259 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL19949168 0.90 NT5E (0.53) NT5EALDH1A1LMNATP53MAPT
SCHEMBL20347371 0.88 NT5E (0.45) NT5EALDH1A1LMNATP53MAPT
SCHEMBL20347375 0.88 NT5E (0.45) NT5EALDH1A1LMNATP53MAPT
SCHEMBL19948655 0.88 NT5E (0.45) NT5EALDH1A1LMNATP53MAPT
SCHEMBL20347302 0.87 NT5E (0.49) NT5EALDH1A1LMNATP53MAPT
SCHEMBL20347234 0.87 NT5E (0.46) NT5EALDH1A1LMNATP53MAPT
SCHEMBL20347284 0.85 NT5E (0.43) NT5EALDH1A1LMNATP53MAPT
SCHEMBL19961918 0.85 NT5E (0.43) NT5EALDH1A1LMNATP53MAPT
SCHEMBL19948917 0.84 LMNA (0.42) NT5EALDH1A1LMNATP53MAPT
SCHEMBL19948520 0.83 NT5E (0.55) NT5EALDH1A1LMNATP53MAPT

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 NT5E 2/4885ALDH1A1 119/4885LMNA 2528/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 NT5E 2/4885ALDH1A1 367/4885LMNA 2056/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885ALDH1A1 527/4885LMNA 2684/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 NT5E 2/4885ALDH1A1 367/4885LMNA 2056/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885ALDH1A1 527/4885LMNA 2684/4885

“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.