SCHEMBL20488243

SCHEMBL20488243

CCC(=O)C(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TAS2R14 Q9NYV8 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
SCHEMBL20488268 0.84 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL3783037 0.82 ENPP2 (0.42)
SCHEMBL19249371 0.79 L3MBTL1 (0.46) LMNAALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL20488845 0.77 ABCC9 (0.45) LMNAALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL12338346 0.76 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL534070 0.75 ENPP2 (0.39) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21791539 0.74 L3MBTL1 (0.43) LMNAALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL11321606 0.74 LDHA (0.43) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL11308492 0.74 ESR1 (0.50) SMN1; SMN2MAPTGAA
SCHEMBL4482607 0.74 LMNA (0.60) LMNAALDH1A1SMN1; SMN2HTTTSHR

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 5 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
CN-110709385-A Haloallylamine pyrazole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2020-01-17 CN 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 LMNA 1069/4885ALDH1A1 301/4885SMN1; SMN2 4781/4885

“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.