SCHEMBL17835592

SCHEMBL17835592

COc1cc(C(=O)O)ccc1OC(CCN(C)C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.56
TTR P02766 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
TPMT P51580 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
TSHR P16473 1/20 0.51
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL17835738 1.00 SLC6A9 (0.56) SLC6A9TTRCA12CA1CA2
SCHEMBL17835590 1.00 SLC6A9 (0.56) SLC6A9TTRCA12CA1CA2
SCHEMBL17835802 0.91 SLC6A9 (0.56) SLC6A9TSHR
SCHEMBL17835801 0.91 SLC6A9 (0.56) SLC6A9TSHR
SCHEMBL17835817 0.89 SLC6A9 (0.52) SLC6A9BCHEACHE
SCHEMBL17835816 0.89 SLC6A9 (0.52) SLC6A9BCHEACHE
SCHEMBL17835596 0.88 TTR (0.56) SLC6A9TTRCA12CA1CA2
SCHEMBL17835593 0.88 TTR (0.56) SLC6A9TTRCA12CA1CA2
Paraben SCHEMBL141412 0.85 SLC6A9 (0.47) SLC6A9
SCHEMBL17835814 0.83 SLC6A9 (0.51) SLC6A9

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-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
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 SLC6A9 4071/4885TTR 1801/4885CA12 4761/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB SLC6A9 4071/4885TTR 1801/4885CA12 4761/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB SLC6A9 4071/4885TTR 1801/4885CA12 4761/4885

“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.