SCHEMBL21646302

SCHEMBL21646302

CC(C)N(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA12 O43570 4/20 0.62
CA14 Q9ULX7 4/20 0.62
CA3 P07451 3/20 0.62
CA4 P22748 3/20 0.62
CA6 P23280 3/20 0.62
CA5A P35218 3/20 0.62
CA7 P43166 3/20 0.62
CA13 Q8N1Q1 3/20 0.62
CA5B Q9Y2D0 3/20 0.62
VCAM1 P19320 1/20 0.57
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1164063 0.80 CA1 (0.72) CA9CA1CA2CA12CA14
SCHEMBL30497605 0.79 CA2 (0.66) CA9CA1CA2CA12CA14
SCHEMBL7650160 0.77 HTT (0.66) CA9CA1CA2CA12CA14
SCHEMBL9463350 0.76 CA2 (0.55) CA9CA1CA2CA12CA14
SCHEMBL10687252 0.75 CA9 (0.51) CA9CA1CA2CA12CA14
Isobutane SCHEMBL18739954 0.74 CA2 (0.84) CA9CA1CA2CA12CA14
SCHEMBL18029396 0.74 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL27855209 0.74 HSD17B10 (0.64) CA9CA1CA2CA12CA14
SCHEMBL12989147 0.74 SMN1; SMN2 (0.50) CA1CA2VCAM1MMP1MMP2
SCHEMBL2936178 0.74 SMN1; SMN2 (0.50) CA9CA1CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250082593-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF SYNTARA LIMITED (AU) 2025-03-13 US disclosed
US-12178791-B2 Haloallylamine sulfone derivative inhibitors of lysyl oxidases and uses thereof SYNTARA LIMITED (AU) 2024-12-31 US disclosed
EP-3829520-B1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF SYNTARA LTD (AU) 2024-11-27 EP disclosed
CN-112533897-B Halogenated allylamine sulfone derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2023-07-14 CN disclosed
CN-113666851-A Optically pure chiral aminoacetal, preparation method and application thereof 西北工业大学 2021-11-19 CN disclosed
US-20210353571-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF SYNTARA LIMITED (AU) 2021-11-18 US disclosed
US-20210353571-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF SYNTARA LIMITED (AU) 2021-11-18 US disclosed
EP-3829520-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF Pharmaxis Ltd. (AU) 2021-06-09 EP disclosed
CN-112533897-A Haloallylamine sulfone derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-03-19 CN disclosed
WO-2020024017-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-02-06 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 (3 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-12178791-B2 Haloallylamine sulfone derivative inhibitors of lysyl oxidases and uses thereof LOX, DAO, LOXL1 CA9 521/4885CA1 2442/4885CA2 1227/4885
US-20250082593-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, LOXL1 CA9 521/4885CA1 2442/4885CA2 1227/4885
US-20210353571-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, LOXL1 CA9 521/4885CA1 2442/4885CA2 1227/4885

“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.