SCHEMBL22216487

SCHEMBL22216487

CC(C)(C)OC(Cc1ccc(-c2cccnc2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
KIF11 P52732 1/20 0.46
CYP2A6 P11509 1/20 0.46
PSMB5 P28074 2/20 0.43
SLC22A12 Q96S37 1/20 0.42
NR3C2 P08235 1/20 0.41
LMNA P02545 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
BRS3 P32247 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
NT5E P21589 1/20 0.41
WNT3A P56704 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL21602301 0.86 LMNA (0.44) LMNACYP2C9
SCHEMBL22216490 0.85 NT5E (0.39) SLC22A12GPR119NT5EWNT3A
SCHEMBL20333387 0.85 CYP17A1 (0.45) KIF11SLC22A12GPR119NT5E
SCHEMBL20333727 0.85 MKNK1 (0.49) MKNK1MKNK2KIF11CYP2A6PSMB5
SCHEMBL22216670 0.84 MKNK1 (0.48) MKNK1MKNK2KIF11CYP2A6PSMB5
SCHEMBL20347196 0.80 MKNK1 (0.47) MKNK1MKNK2KIF11CYP2A6PSMB5
SCHEMBL24983268 0.79 FDPS (0.41) GPR119CYP19A1
SCHEMBL24835816 0.78 RARB (0.46)
SCHEMBL22216672 0.78 MME (0.41) NT5E
SCHEMBL22216282 0.78 NT5E (0.43) LMNANT5E

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 MKNK1 4515/4885MKNK2 4565/4885KIF11 4615/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MKNK1 4515/4885MKNK2 4565/4885KIF11 4615/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 MKNK1 4515/4885MKNK2 4565/4885KIF11 4615/4885

“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.