SCHEMBL16770923

SCHEMBL16770923

C[C@@H]1CC[C@@H](COc2cc(F)c(C(=O)OC(C)(C)C)cc2Cl)CN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ SCN9A Q15858 13/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SCN7A Q01118 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
SCHEMBL16771113 0.90 SCN7A (0.48) PDK1PDK2PDK3PDK4SCN9A
SCHEMBL16770624 0.87 PDK1 (0.42) PDK1PDK2PDK3PDK4SCN9A
SCHEMBL16770707 0.87 PDK1 (0.42) PDK1PDK2PDK3PDK4SCN9A
SCHEMBL17062019 0.86 SCN9A (0.45) SCN9A
SCHEMBL16770920 0.84 SCN9A (0.47) SCN9ASCN7A
SCHEMBL16770831 0.84 SCN9A (0.47) SCN9ASCN7A
SCHEMBL16758978 0.79 SCN7A (0.56) SCN9ASCN7A
SCHEMBL16770962 0.78 SCN9A (0.44) PDK1PDK2PDK3PDK4SCN9A
SCHEMBL16770859 0.78 SCN9A (0.44) PDK1PDK2PDK3PDK4SCN9A
SCHEMBL15557780 0.77 SCN9A (0.53) 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 10 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-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — 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-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-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
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 — — 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 (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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 PDK1 3749/4885PDK2 3200/4885PDK3 2549/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 PDK1 3792/4885PDK2 3045/4885PDK3 2498/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR PDK1 4211/4885PDK2 4019/4885PDK3 3716/4885

“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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