SCHEMBL21839916

SCHEMBL21839916

COC(=O)c1cc(I)cc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
XDH P47989 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL14682706 0.87 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL14200326 0.87 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL27552680 0.86 CA1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL16960589 0.86 CA1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL475680 0.82 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL231885 0.82 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL12180750 0.80 SLC7A5 (0.49) CA1CA2CA12CA7CA9
SCHEMBL1188951 0.80 CA12 (0.68) CA1CA2CA12CA7CA9
SCHEMBL16956840 0.79 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL21032129 0.79 ALDH1A1 (0.47) CA1CA2CA12CA7CA9

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 7 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
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN 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
CN-110678450-A Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2020-01-10 CN 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 CA1 3187/4885CA2 2996/4885CA12 4239/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 CA1 4348/4885CA2 2855/4885CA12 4458/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 CA1 3187/4885CA2 2996/4885CA12 4239/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 CA1 4318/4885CA2 3433/4885CA12 4547/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 CA1 4348/4885CA2 2855/4885CA12 4458/4885

“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.