SCHEMBL22216573

SCHEMBL22216573

CC(C)(C)OC(Cc1ccc(-c2ccccn2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
NT5E P21589 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ALOX5AP P20292 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1I2 O75469 2/20 0.41
NMBR P28336 1/20 0.41
GRPR P30550 1/20 0.41
KCNH2 Q12809 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
MLNR O43193 1/20 0.40

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
SCHEMBL20333423 0.87 HCAR2 (0.44) BRS3ABL1BCRTRPV1NT5E
SCHEMBL21602301 0.83 LMNA (0.44) CYP2C9PTGS1FFAR1
SCHEMBL20347179 0.81 BRS3 (0.46) BRS3ABL1BCRTRPV1HCAR2
SCHEMBL19961863 0.80 SMN1; SMN2 (0.48) CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL20333387 0.80 CYP17A1 (0.45) NT5E
SCHEMBL21602324 0.79 MKNK1 (0.48) BRS3NT5E
SCHEMBL21602102 0.78 DHODH (0.45) BRS3NT5EFFAR4DHODH
SCHEMBL21602083 0.78 LTB4R2 (0.49) BRS3
SCHEMBL22216487 0.77 MKNK1 (0.49) BRS3NT5ECYP2D6CYP19A1CYP2C9
SCHEMBL22216281 0.76 ALDH1A1 (0.42) BRS3NT5EHCAR2CYP2C9CYP2C19

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 BRS3 690/4885ABL1 858/4885BCR 3740/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 BRS3 690/4885ABL1 858/4885BCR 3740/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 BRS3 690/4885ABL1 858/4885BCR 3740/4885

“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.