SCHEMBL18587263

SCHEMBL18587263

COCOc1cc(Cl)c(C#N)cc1-c1cccc(C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
SCN9A Q15858 1/20 0.42
EGFR P00533 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PDE4D Q08499 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ERBB2 P04626 1/20 0.38
EIF4EBP1 Q13541 2/20 0.38
FASN P49327 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
Phenol SCHEMBL18587635 0.94 EGFR (0.41) XDHSCN9AEGFRMRGPRX4PTGDR2
SCHEMBL18587923 0.89 CECR2 (0.43) XDHEGFRMRGPRX4PTGDR2EIF4EBP1
SCHEMBL18587810 0.84 MAPT (0.45) XDHEGFRMRGPRX4EIF4EBP1
SCHEMBL18587807 0.84 MAPT (0.45) XDHEGFRMRGPRX4EIF4EBP1
SCHEMBL18587267 0.83 RAB9A (0.48)
SCHEMBL18587789 0.80 CTSS (0.43) SCN9ACTSSCTSKMAOAMAOB
SCHEMBL18587287 0.78 MRGPRX4 (0.49) MRGPRX4EIF4EBP1FASN
SCHEMBL18587212 0.77 MAPT (0.47) SCN9AMRGPRX4FASN
SCHEMBL18587839 0.76 SCN9A (0.36) XDHSCN9AEGFRERBB2FASN
SCHEMBL18587284 0.75 KAT6A (0.43) SCN9AFASN

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 14 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
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 XDH 4008/4885SCN9A 4486/4885EGFR 1976/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 XDH 4008/4885SCN9A 4486/4885EGFR 1976/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 XDH 4008/4885SCN9A 4486/4885EGFR 1976/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 XDH 4008/4885SCN9A 4486/4885EGFR 1976/4885

“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.