SCHEMBL17835564

SCHEMBL17835564

COC(=O)c1ccc(OC(C)c2ccccc2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.57
LTB4R2 Q9NPC1 3/20 0.57
XDH P47989 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
RORC P51449 2/20 0.50
P4HB P07237 1/20 0.46
TSHR P16473 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
EGFR P00533 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL17835866 0.87 MAPT (0.56) LTB4RLTB4R2CA12CA1CA2
SCHEMBL17835865 0.87 MAPT (0.56) LTB4RLTB4R2CA12CA1CA2
SCHEMBL7986726 0.85 LTB4R (0.62) LTB4RLTB4R2RORCTTRBRD4
SCHEMBL14967228 0.84 TSHR (0.47) LTB4RLTB4R2XDHCA12CA1
SCHEMBL29035407 0.79 LTB4R (0.57) LTB4RLTB4R2CA1CA2TSHR
SCHEMBL29523814 0.79 LTB4R (0.57) LTB4RLTB4R2CA1CA2TSHR
SCHEMBL29523345 0.79 LTB4R (0.57) LTB4RLTB4R2CA1CA2TSHR
SCHEMBL31291723 0.79 CA1 (0.59) XDHCA12CA1CA2CA7
SCHEMBL29723267 0.79 CA12 (0.59) XDHCA12CA1CA2CA7
SCHEMBL2910822 0.79 CA12 (0.59) XDHCA12CA1CA2CA7

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 11 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
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO 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 LTB4R 233/4885LTB4R2 235/4885XDH 9/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB LTB4R 233/4885LTB4R2 235/4885XDH 9/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB LTB4R 233/4885LTB4R2 235/4885XDH 9/4885

“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.