SCHEMBL22216282

SCHEMBL22216282

CC(C)(C)OC(Cc1ccc(-c2cnc(N)nc2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.43
MAP4K4 O95819 3/20 0.37
BLM P54132 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX5AP P20292 6/20 0.36
PIK3CA P42336 1/20 0.35
PDE5A O76074 1/20 0.35
KCNH2 Q12809 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
HIF1A Q16665 1/20 0.34
DGAT1 O75907 1/20 0.34
FEN1 P39748 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
SCHEMBL20333693 0.84 NT5E (0.45) NT5EMAP4K4BLMLMNAMAPT
SCHEMBL22216490 0.84 NT5E (0.39) NT5EBLMALOX5AP
SCHEMBL21602301 0.82 LMNA (0.44) LMNAMAPTHIF1A
SCHEMBL20347416 0.81 BLM (0.45) BLMLMNAMAPTHIF1A
SCHEMBL20333387 0.81 CYP17A1 (0.45) NT5EMAP4K4BLM
SCHEMBL20347176 0.80 LMNA (0.40) NT5EMAP4K4BLMLMNAMAPT
SCHEMBL24835816 0.79 RARB (0.46) MAPT
SCHEMBL22216672 0.79 MME (0.41) NT5EBLM
SCHEMBL20350730 0.78 MAP4K4 (0.35) NT5EMAP4K4BLMLMNAMAPT
SCHEMBL22216487 0.78 MKNK1 (0.49) NT5ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 US disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 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 (3 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-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885MAP4K4 3453/4885BLM 2174/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885MAP4K4 3453/4885BLM 2174/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885MAP4K4 3453/4885BLM 2174/4885

“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.