SCHEMBL21602032

SCHEMBL21602032

CC(C)(C)OC(Cc1cscn1)(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.37
▸ NT5E P21589 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ SLC16A3 O15427 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ MCTS1 Q9ULC4 1/20 0.34
▸ SLC6A3 Q01959 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ GPR142 Q7Z601 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL21215959 0.84 KDM4E (0.37) PKMNT5EGPR119MAPK1NPSR1
SCHEMBL21197694 0.83 MAPK1 (0.36) PKMNT5EGPR119MAPK1NPSR1
SCHEMBL24983497 0.81 CTSK (0.36) PKMNT5EGPR119MAPK1NPSR1
SCHEMBL19031974 0.79 ALOX5AP (0.41) PKMGPR119MAPK1NPSR1KDM4E
SCHEMBL8693255 0.75 SCN9A (0.35) PKMGPR119MAPK1NPSR1KDM4E
SCHEMBL3901063 0.75 SLC6A3 (0.37) PKMGPR119MAPK1NPSR1KDM4E
SCHEMBL21216015 0.74 MAPK1 (0.36) PKMGPR119MAPK1NPSR1KDM4E
Lithium Ion SCHEMBL21197693 0.73 MAPK1 (0.35) PKMGPR119MAPK1NPSR1KDM4E
SCHEMBL27763466 0.72 MAPK1 (0.39) PKMGPR119MAPK1NPSR1KDM4E
SCHEMBL20347200 0.71 CTSS (0.43) NT5EKDM4CCTSKALDH1A1HSD17B10

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 PKM 2167/4885NT5E 1/4885GPR119 493/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PKM 2167/4885NT5E 1/4885GPR119 493/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 PKM 2167/4885NT5E 1/4885GPR119 493/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PKM 2167/4885NT5E 1/4885GPR119 493/4885

“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.

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