SCHEMBL21602102

SCHEMBL21602102

COc1ncccc1-c1ccc(CC(OC(C)(C)C)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
NAAA Q02083 1/20 0.44
NT5E P21589 1/20 0.44
FFAR4 Q5NUL3 3/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC13A5 Q86YT5 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR3C1 P04150 1/20 0.39
RORC P51449 1/20 0.39
METAP2 P50579 1/20 0.38
PTGS2 P35354 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
GSK3B P49841 1/20 0.37
BRS3 P32247 1/20 0.37

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
SCHEMBL24983194 0.85 FFAR4 (0.45) DHODHNAAANT5EFFAR4KDM1A
SCHEMBL21602324 0.85 MKNK1 (0.48) NT5EBRS3
SCHEMBL20333387 0.79 CYP17A1 (0.45) NT5EGSK3B
SCHEMBL22216573 0.78 BRS3 (0.47) DHODHNT5EFFAR4BRS3
SCHEMBL22216281 0.78 ALDH1A1 (0.42) NT5ESLC13A5BRS3
SCHEMBL21602301 0.77 LMNA (0.44) SLC13A5
SCHEMBL21602083 0.77 LTB4R2 (0.49) BRS3
SCHEMBL22216487 0.76 MKNK1 (0.49) NT5EBRS3
SCHEMBL24983268 0.75 FDPS (0.41)
SCHEMBL21602041 0.74 ITGB1 (0.42) NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 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 (4 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-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 DHODH 262/4885NAAA 148/4885NT5E 1/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 DHODH 262/4885NAAA 148/4885NT5E 1/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 DHODH 262/4885NAAA 148/4885NT5E 1/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 DHODH 262/4885NAAA 148/4885NT5E 1/4885

“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.