SCHEMBL20489253

SCHEMBL20489253

Cc1n[nH]c(C)c1Oc1ccc(S(=O)(=O)N(C)C)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.50
ALPL P05186 1/20 0.50
ENPP1 P22413 1/20 0.50
XIAP P98170 1/20 0.50
FPR2 P25090 3/20 0.38
PROKR1 Q8TCW9 3/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PGR P06401 1/20 0.34
POLB P06746 2/20 0.33
PTGS2 P35354 1/20 0.33
GSTO1 P78417 2/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL20489033 0.72 TSHR (0.51) ALDH1A1TSHRGLAMAPTSMN1; SMN2
SCHEMBL6418878 0.71 ENPP3 (0.59) ENPP3ALPLENPP1XIAPFPR2
SCHEMBL21791586 0.68 GSTO1 (0.40) FPR2PROKR1ALDH1A1TSHRGLA
SCHEMBL509030 0.68 ENPP3 (0.55) ENPP3ALPLENPP1XIAPALDH1A1
Hydrochloric Acid SCHEMBL20489231 0.68 GSTO1 (0.40) FPR2PROKR1ALDH1A1TSHRGLA
SCHEMBL20488833 0.66 ALDH1A1 (0.42) ALDH1A1TSHRGLAMAPTSMN1; SMN2
SCHEMBL21773566 0.65 GSTO1 (0.38) FPR2PROKR1ALDH1A1TSHRGLA
SCHEMBL4239165 0.65 ENPP3 (0.59) ENPP3ALPLENPP1XIAPALDH1A1
SCHEMBL20488878 0.65 GSTO1 (0.39) ALDH1A1TSHRGLAMAPTSMN1; SMN2
SCHEMBL20488864 0.63 ALDH1A1 (0.51) ALDH1A1TSHRGLAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
WO-2018157190-A9 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-10-25 WO disclosed
WO-2018157190-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-09-07 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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, AADAC ENPP3 405/4885ALPL 2000/4885ENPP1 516/4885

“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.