SCHEMBL21889295

SCHEMBL21889295

CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc(N2C(=O)C(=O)c3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 8/20 0.65
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PTPN1 P18031 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ AOC2 O75106 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ CA12 O43570 1/20 0.35

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
SCHEMBL21889045 0.79 AOC3 (1.00) AOC3MAOBAOC2
SCHEMBL28979227 0.77 AOC3 (0.43) AOC3ALDH1A1NPSR1AOC2
SCHEMBL28979262 0.77 AOC3 (0.43) AOC3ALDH1A1NPSR1AOC2
SCHEMBL23329639 0.77 MAOB (0.46) AOC3GAAMAOBAOC2CA12
SCHEMBL21889843 0.75 MAOB (0.45) AOC3ALDH1A1MEN1KMT2AMAOB
SCHEMBL21780054 0.75 AOC3 (0.50) AOC3MAOBCA12CA1CA2
SCHEMBL23718599 0.75 AOC3 (0.50) AOC3MAOBCA12CA1CA2
SCHEMBL21768043 0.75 AOC3 (0.50) AOC3MAOBCA12CA1CA2
SCHEMBL29798655 0.75 AOC3 (0.69) AOC3
SCHEMBL28501732 0.75 AOC3 (0.69) AOC3

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
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 — — EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 — — US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 — — US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 — — US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 — — EP 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 (3 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 AOC3 53/4885PPARD 4811/4885PPARA 4620/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885PPARD 4811/4885PPARA 4620/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885PPARD 4811/4885PPARA 4620/4885

“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.

Send feedback