SCHEMBL18587789

SCHEMBL18587789

CC(=O)c1cccc(-c2cc(C#N)c(Cl)cc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SCN9A Q15858 1/20 0.42
DHODH Q02127 1/20 0.40
AURKA O14965 2/20 0.39
TPX2 Q9ULW0 2/20 0.39
EIF4E P06730 1/20 0.39
FASN P49327 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
Phenol SCHEMBL18587050 0.94 DHODH (0.41) CTSSCTSKSCN9ADHODHAURKA
SCHEMBL18587305 0.86 ERN1 (0.47) SCN9AFASNMAPT
SCHEMBL29587703 0.86 TAF1 (0.46) MAPTKDM4E
SCHEMBL18586735 0.86 ERN1 (0.47)
SCHEMBL29588054 0.86 ERN1 (0.47)
SCHEMBL18617405 0.86 TAF1 (0.46) MAPTKDM4E
SCHEMBL18587263 0.80 XDH (0.43) CTSSCTSKSCN9AFASNMAOA
SCHEMBL18587347 0.78 MAOA (0.53) FASNMAOAMAOBKDM4E
SCHEMBL18587254 0.78 HPGD (0.56) KDM4E
SCHEMBL29588105 0.78 HPGD (0.56) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
CN-108026077-B Phenoxymethyl derivatives 豪夫迈·罗氏有限公司 2021-11-05 CN disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
EP-3344619-A1 PHENOXYMETHYL DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-11 EP disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 WO disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 WO 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 (4 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 CTSS 2938/4885CTSK 2289/4885SCN9A 4486/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 CTSS 2938/4885CTSK 2289/4885SCN9A 4486/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 CTSS 2938/4885CTSK 2289/4885SCN9A 4486/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 CTSS 2938/4885CTSK 2289/4885SCN9A 4486/4885

“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.