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Sugi Predict / Compounds / Benzo[D]Isoxazole

Benzo[D]Isoxazole

Benzo[D]Isoxazole

SCHEMBL2199652

NS(=O)(=O)O.c1ccc2oncc2c1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.41
▸ CA1 P00915 6/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ CA12 O43570 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ FLT3 P36888 1/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TYR P14679 1/20 0.34
▸ DAO P14920 1/20 0.34

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
Benzo[D]Isoxazole SCHEMBL5697378 0.89 NPC1 (0.40) CA2LMNAMAOBNPC1RAB9A
Benzo[D]Isoxazole SCHEMBL5918862 0.87 NPC1 (0.39) CA2LMNAMAOBNPC1RAB9A
Benzo[D]Isoxazole SCHEMBL6298798 0.87 RAB9A (0.39) CA2LMNAMAOBNPC1RAB9A
Benzo[D]Isoxazole SCHEMBL5697384 0.87 NPC1 (0.39) CA2LMNAMAOBNPC1RAB9A
Benzo[D]Isoxazole SCHEMBL8438 0.84 — —
Benzo[D]Isoxazole SCHEMBL1355530 0.84 — —
Benzo[D]Isoxazole SCHEMBL29366929 0.84 — —
Benzo[D]Isoxazole SCHEMBL5773956 0.83 TDP1 (0.35) CA2CA1CA9CA12LMNA
Benzo[D]Isoxazole SCHEMBL27781793 0.83 NPC1 (0.40) CA1CA9CA12LMNACA4
Benzo[D]Isoxazole SCHEMBL10809155 0.82 RAB9A (0.40) CA1CA9CA12CA4CA5A

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-8173679-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2012-05-08 — — US disclosed
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 — — US disclosed
CN-101080395-B Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX SAM LAB 2011-08-17 — — CN disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 — — US disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 — — US disclosed
CN-101080395-A Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents THERAMEX (MC) 2007-11-28 — — 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 (2 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 CA2 1855/4885CA1 3146/4885CA9 2904/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 CA2 1855/4885CA1 3146/4885CA9 2904/4885

“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.