SCHEMBL22918341

SCHEMBL22918341

NC/C=C(\F)C(F)(F)S(=O)(=O)c1ccccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.35
MGLL Q99685 1/20 0.34
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
AOC3 Q16853 3/20 0.33
MAOB P27338 2/20 0.33
CDK2 P24941 1/20 0.33
CA1 P00915 4/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ACLY P53396 1/20 0.32
GBA1 P04062 1/20 0.31
CA9 Q16790 2/20 0.31
CA5A P35218 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
PTGES2 Q9H7Z7 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL22918268 0.84 HSD11B1 (0.39) ABCC9ABCC8KCNJ11KCNJ8AOC3
Hydrochloric Acid SCHEMBL28701431 0.83 HSD11B1 (0.38) ABCC9ABCC8KCNJ11KCNJ8AOC3
SCHEMBL22918247 0.81 AOC3 (0.39) CA2AOC3MAOBCA1CA9
SCHEMBL22918269 0.81 HTR6 (0.40) CA2AOC3CA1GBA1CA9
Hydrochloric Acid SCHEMBL28703580 0.80 AOC3 (0.38) CA2AOC3MAOBCA1CA9
SCHEMBL29852345 0.75 MAPK1 (0.49) CA2CA1CA9POLBGAA
SCHEMBL22918248 0.75 MAPK1 (0.49) CA2CA1CA9POLBGAA
SCHEMBL22918261 0.75 ALDH1A1 (0.42) CA2CA1CA9CA5ALOXL2
SCHEMBL22918320 0.75 PRSS1 (0.41) CA2AOC3MAOBCA1CA9
Hydrochloric Acid SCHEMBL28711945 0.74 MAPK1 (0.48) CA2CA1CA9POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251036-A1 DIFLUOROHALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES, METHODS OF PREPARATION, AND USES THEREOF PHARMAXIS LTD. (AU) 2022-08-11 US disclosed
WO-2021012014-A1 DIFLUOROHALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES, METHODS OF PREPARATION, AND USES THEREOF PHARMAXIS LTD. (AU) 2021-01-28 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 (1 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-20220251036-A1 DIFLUOROHALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES, METHODS OF PREPARATION, AND USES THEREOF DAO, SMOX, PIGO CA2 2601/4885MGLL 250/4885ABCC9 2870/4885

“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.