SCHEMBL17061983

SCHEMBL17061983

CC(C)(C)c1c(F)c(C(=O)O)cc(C2CC2)c1OCC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.35
▸ CNR2 P34972 9/20 0.33
▸ ALOX5AP P20292 3/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ SCN9A Q15858 2/20 0.31

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
SCHEMBL18662290 0.91 NOTUM (0.34) NOTUMCNR2ALOX5APFEN1SCN9A
SCHEMBL16759396 0.74 SCN9A (0.46) SCN9A
SCHEMBL21825403 0.70 SCN9A (0.49) CNR2ALOX5APFEN1SCN9A
SCHEMBL16770853 0.69 SCN9A (0.43) SCN9A
SCHEMBL17062092 0.69 CNR2 (0.38) CNR2SCN9A
SCHEMBL9525607 0.67 ALDH1A1 (0.38) NOTUMCNR2SCN9A
SCHEMBL15543360 0.66 SCN9A (0.48) NOTUMSCN9A
SCHEMBL17061985 0.65 SCN9A (0.45) SCN9A
SCHEMBL23159291 0.65 SCN9A (0.44) SCN9A
SCHEMBL31502306 0.64 NOTUM (0.43) NOTUMSCN9A

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-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-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 (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 NOTUM 2995/4885CNR2 479/4885ALOX5AP 3180/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 NOTUM 3430/4885CNR2 535/4885ALOX5AP 3361/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR NOTUM 2997/4885CNR2 225/4885ALOX5AP 3739/4885

“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.

Send feedback