SCHEMBL19249698

SCHEMBL19249698

CN(C)S(=O)(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 9/20 0.47
P4HA1 P13674 1/20 0.47
MIF P14174 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL29595044 1.00 P4HTM (0.47) P4HTMP4HA1MIFALDH1A1KDM4E
SCHEMBL19212522 0.86 P4HTM (0.46) P4HTMALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL19249701 0.82 MAPK1 (0.54) P4HTMALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL19249876 0.82 CYP2C9 (0.43) ALDH1A1HSD17B10SMN1; SMN2MAPK1NPC1
SCHEMBL4326059 0.80 PTGS2 (0.55) P4HTMP4HA1MIFALDH1A1KDM4E
SCHEMBL19212530 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10SMN1; SMN2TP53
SCHEMBL18883290 0.77 MEN1 (0.43) P4HTMP4HA1MIFALDH1A1KDM4E
SCHEMBL1403612 0.77 KDM4E (0.50) P4HTMP4HA1MIFALDH1A1KDM4E
SCHEMBL18668478 0.77 P4HTM (0.52) P4HTMP4HA1MIFALDH1A1KDM4E
SCHEMBL31637107 0.77 P4HTM (0.52) P4HTMP4HA1MIFALDH1A1KDM4E

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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 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 (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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT P4HTM 668/4885P4HA1 412/4885MIF 1128/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT P4HTM 668/4885P4HA1 412/4885MIF 1128/4885

“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.