SCHEMBL17835708

SCHEMBL17835708

CC(Oc1ccc(C(=O)O)cc1OCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
PDE4D Q08499 5/20 0.45
NOX1 Q9Y5S8 1/20 0.45
CSF1R P07333 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
GRIN2B Q13224 1/20 0.42
SLC2A1 P11166 1/20 0.42
CHEK2 O96017 1/20 0.42
YAP1 P46937 2/20 0.42

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
SCHEMBL17835639 0.92 KDM4E (0.48) KDM4EPKMPDE4DNOX1CSF1R
SCHEMBL4431949 0.83 PDE4A (0.57) KDM4EPKMPDE4DCSF1RGPR119
SCHEMBL17844339 0.83 KDM4E (0.48) KDM4EPKMPDE4DCSF1RGPR119
SCHEMBL17835526 0.81 NOX1 (0.75) NOX1
SCHEMBL17844321 0.80 NOX1 (0.49) PDE4DNOX1PDE4APDE4BPDE4C
SCHEMBL29992791 0.76 SLC2A1 (0.56) KDM4EPKMCSF1RGPR119SLC2A1
SCHEMBL15996233 0.76 SLC2A1 (0.56) KDM4EPKMCSF1RGPR119SLC2A1
SCHEMBL1056543 0.76 PDE4B (0.54) KDM4EPKMPDE4DGPR119PDE4A
SCHEMBL65285 0.76 GPR119 (0.59) KDM4EPKMGPR119SLC2A1CHEK2
SCHEMBL3249170 0.74 KDM4E (0.61) KDM4EPKMCSF1RGPR119SLC2A1

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 KDM4E 4240/4885PKM 1786/4885PDE4D 653/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB KDM4E 4240/4885PKM 1786/4885PDE4D 653/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB KDM4E 4240/4885PKM 1786/4885PDE4D 653/4885

“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.