SCHEMBL20839556

SCHEMBL20839556

COC(=O)c1cc(Br)c2cnn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ ELANE P08246 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ NOTUM Q6P988 2/20 0.36
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ EEF2K O00418 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL16833934 0.81 ELANE (0.39) ELANEPKMGABRG2GABRB3GABRA5
SCHEMBL21839894 0.81 L3MBTL1 (0.38) UCHL1USP30ELANEPKMGABRG2
SCHEMBL20840128 0.79 ELANE (0.38) ELANEGABRG2GABRB3GABRA5ROCK2
SCHEMBL21986704 0.78 ELANE (0.37) UCHL1USP30ELANEPKMGABRG2
SCHEMBL20844708 0.78 UCHL1 (0.41) UCHL1USP30PKMNOTUMGABRG2
SCHEMBL18585549 0.78 TP53 (0.41) NOTUMLMNAKMT2ACYP1A2CYP2C19
SCHEMBL29856084 0.78 TP53 (0.41) NOTUMLMNAKMT2ACYP1A2CYP2C19
SCHEMBL832533 0.78 EGFR (0.40) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL13610332 0.77 ELANE (0.37) ELANEGABRG2GABRB3GABRA5ROCK2
SCHEMBL17113072 0.77 UCHL1 (0.41) UCHL1USP30PKMNOTUMGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 — — US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 — — US disclosed
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2021-06-24 — — US disclosed
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-27 — — US disclosed
US-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2020-04-16 — — US disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 — — WO 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 (5 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-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 UCHL1 4520/4885USP30 4131/4885ELANE 3869/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 UCHL1 4087/4885USP30 3776/4885ELANE 1636/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 UCHL1 4520/4885USP30 4131/4885ELANE 3869/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 UCHL1 3690/4885USP30 3717/4885ELANE 1179/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 UCHL1 4087/4885USP30 3776/4885ELANE 1636/4885

“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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