SCHEMBL17062020

SCHEMBL17062020

CC(C)(C)OC(=O)c1cc(C2CC2)c(O[C@@H]2C[C@@H]3CN[C@H]2C3)cc1F

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.46
▸ IRAK4 Q9NWZ3 2/20 0.35

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
SCHEMBL16771244 1.00 SCN9A (0.46) SCN9AIRAK4
SCHEMBL16448671 0.82 SCN9A (0.66) SCN9A
SCHEMBL16448674 0.82 SCN9A (0.66) SCN9A
SCHEMBL18244056 0.79 SCN9A (0.40) SCN9A
SCHEMBL16758886 0.79 SCN9A (0.40) SCN9A
SCHEMBL16759377 0.79 SCN9A (0.40) SCN9A
SCHEMBL16759628 0.78 SCN9A (0.46) SCN9A
SCHEMBL16759079 0.78 SCN9A (0.46) SCN9A
SCHEMBL17061892 0.76 SCN9A (0.44) SCN9AIRAK4
SCHEMBL16759432 0.76 SCN9A (0.44) SCN9AIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 — — US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — 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 (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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885IRAK4 2801/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SCN9A 1669/4885IRAK4 3221/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SCN9A 505/4885IRAK4 3191/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885IRAK4 2801/4885

“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.

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