SCHEMBL22918320

SCHEMBL22918320

NC/C=C(\F)C(F)(F)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
FAAH O00519 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
F2 P00734 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
AOC3 Q16853 6/20 0.36
MAOB P27338 3/20 0.36
HSP90AA1 P07900 1/20 0.35
LOXL2 Q9Y4K0 4/20 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
SCHEMBL22918336 0.82 LOXL2 (0.38) LOXL2LOXHSD17B10
SCHEMBL22918247 0.80 AOC3 (0.39) CA1CA2CA5ACA9AOC3
Hydrochloric Acid SCHEMBL28703580 0.78 AOC3 (0.38) CA1CA2CA5ACA9AOC3
SCHEMBL22918341 0.75 CA2 (0.35) CA1CA2CA5ACA9AOC3
SCHEMBL22918268 0.74 HSD11B1 (0.39) AOC3MAOBLOXL2KMT2A
Hydrochloric Acid SCHEMBL28701431 0.72 HSD11B1 (0.38) AOC3MAOBLOXL2KMT2A
SCHEMBL22918269 0.71 HTR6 (0.40) CA1CA2CA9AOC3LOXL2
SCHEMBL2198863 0.70 PRSS1 (0.58) PRSS1PRSS2PRSS3CA1CA2
SCHEMBL22918261 0.70 ALDH1A1 (0.42) PRSS1PRSS2PRSS3CA1CA2
SCHEMBL22918327 0.69 KMT2A (0.40) AOC3LOXL2KMT2A

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 PRSS1 325/4885PRSS2 491/4885PRSS3 663/4885

“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.