SCHEMBL20489256

SCHEMBL20489256

Cc1n[nH]c(C(=O)O)c1CC(F)=CCNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GFER P55789 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20489255 1.00 KDM4E (0.35) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL21791600 0.88 PDE4D (0.35) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL28347572 0.88 PDE4D (0.35) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL21791604 0.75 P2RX7 (0.42) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL2918000 0.69 TDP1 (0.45) CTSSMEN1GAAKMT2A
SCHEMBL2919446 0.69 TDP1 (0.45) CTSSMEN1GAAKMT2A
SCHEMBL2919444 0.69 TDP1 (0.45) CTSSMEN1GAAKMT2A
SCHEMBL2923884 0.68 TDP1 (0.40) CTSSMEN1GAAKMT2A
SCHEMBL2916679 0.68 TDP1 (0.40) CTSSMEN1GAAKMT2A
SCHEMBL2921427 0.68 TDP1 (0.40) CTSSMEN1GAAKMT2A

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
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 KDM4E 647/4885LMNA 1069/4885NPSR1 2969/4885

“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.

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