SCHEMBL29852271

SCHEMBL29852271

COc1cccc(S(=O)(=O)C(F)(F)/C(F)=C/CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.43
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
NR1H2 P55055 1/20 0.42
HSD11B1 P28845 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEP1B Q16820 1/20 0.41
NFE2L2 Q16236 4/20 0.40
KEAP1 Q14145 2/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
KAT6A Q92794 1/20 0.40
PGR P06401 2/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL22918326 1.00 LOXL2 (0.43) LOXL2RORARORCNR1H2HSD11B1
SCHEMBL29852396 0.87 NR1H2 (0.46) LOXL2NR1H2
SCHEMBL22918299 0.87 NR1H2 (0.46) LOXL2NR1H2
SCHEMBL29852265 0.83 LOXL2 (0.41) LOXL2NR1H2AOC3
SCHEMBL22918327 0.83 KMT2A (0.40) LOXL2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL29852658 0.83 KMT2A (0.40) LOXL2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL22918249 0.83 LOXL2 (0.41) LOXL2NR1H2AOC3
SCHEMBL22918247 0.81 AOC3 (0.39) LOXL2HSD11B1CA12CA1CA2
SCHEMBL22918403 0.81 HTR1A (0.43) RORARORCNR1H2ABCC9ABCC8
Hydrochloric Acid SCHEMBL28703580 0.80 AOC3 (0.38) LOXL2HSD11B1CA12CA1CA2

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 1 patent. 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

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 LOXL2 27/4885RORA 4140/4885RORC 4459/4885

“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.