SCHEMBL17835722

SCHEMBL17835722

COc1cc(C(=O)O)ccc1O[C@H](CN(C)C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NOX1 Q9Y5S8 5/20 0.44
TSHR P16473 2/20 0.43
SLC6A9 P48067 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PLA2G4A P47712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL17835724 1.00 TTR (0.47) TTRCA12CA1CA2CA4
SCHEMBL17835579 0.92 NOX1 (0.44) NOX1SLC6A9L3MBTL1BCHEACHE
SCHEMBL17835578 0.92 NOX1 (0.44) NOX1SLC6A9L3MBTL1BCHEACHE
SCHEMBL17835593 0.84 TTR (0.56) TTRCA12CA1CA2CA4
SCHEMBL17835596 0.84 TTR (0.56) TTRCA12CA1CA2CA4
SCHEMBL17835624 0.80 TTR (0.48) TTRCA12CA1CA2CA4
SCHEMBL17835738 0.78 SLC6A9 (0.56) TTRCA12CA1CA2CA4
SCHEMBL17835592 0.78 SLC6A9 (0.56) TTRCA12CA1CA2CA4
SCHEMBL17835590 0.78 SLC6A9 (0.56) TTRCA12CA1CA2CA4
SCHEMBL17835645 0.76 NOX1 (0.56) TTRNOX1SLC6A9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB TTR 1801/4885CA12 4761/4885CA1 4294/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB TTR 1801/4885CA12 4761/4885CA1 4294/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB TTR 1801/4885CA12 4761/4885CA1 4294/4885

“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.