SCHEMBL20063711

SCHEMBL20063711

CN[C@H]1CCCC[C@@H]1Nc1cc(F)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.38
TSHR P16473 1/20 0.34
RORC P51449 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20063679 0.92 SCN9A (0.46) SCN9A
SCHEMBL20063692 0.91 SCN9A (0.47) SCN9A
SCHEMBL20096149 0.91 SCN9A (0.47) SCN9A
SCHEMBL20063697 0.84 SCN9A (0.46) SCN9A
SCHEMBL20063743 0.84 SCN9A (0.57) SCN9A
SCHEMBL20063680 0.84 SCN9A (0.47) SCN9A
SCHEMBL16757041 0.84 MEN1 (0.38) SCN9ATSHRRORCMEN1KMT2A
SCHEMBL20063744 0.83 SCN9A (0.46) SCN9A
SCHEMBL20063676 0.83 SCN9A (0.44) SCN9A
SCHEMBL20063698 0.83 SCN9A (0.55) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1478/4885TSHR 944/4885RORC 1424/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885TSHR 944/4885RORC 1424/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885TSHR 933/4885RORC 1426/4885

“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.