SCHEMBL21800826

SCHEMBL21800826

CCOC(=O)C1CCCC1C(=O)c1cc(C2CC2)c(O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.36
▸ SCN5A Q14524 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL18571353 1.00 SCN9A (0.36) SCN9ASCN5AALDH1A1HPGDTDP1
SCHEMBL18556123 0.82 SCN9A (0.35) SCN9ASCN5A
SCHEMBL21800833 0.81 HTT (0.36) SCN9AALDH1A1
SCHEMBL24264003 0.80 SCN9A (0.38) SCN9ASCN5A
SCHEMBL18571143 0.80 SCN7A (0.43) SCN9ASCN5A
SCHEMBL18556031 0.80 SCN7A (0.43) SCN9ASCN5A
SCHEMBL18570784 0.79 SCN9A (0.63) SCN9ASCN5A
SCHEMBL18571442 0.79 SCN9A (0.42) SCN9ASCN5A
SCHEMBL18571441 0.78 SCN9A (0.63) SCN9ASCN5A
SCHEMBL21800832 0.77 SCN5A (0.47) SCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 — — US disclosed
US-11130726-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-09-28 — — US disclosed
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-03-19 — — 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-11130726-B2 Therapeutic compounds and methods of use thereof RDX, C3AR1, LPXN SCN9A 1789/4885SCN5A 1100/4885ALDH1A1 576/4885
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C3AR1, LPXN SCN9A 1789/4885SCN5A 1100/4885ALDH1A1 576/4885
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R SCN9A 2486/4885SCN5A 1051/4885ALDH1A1 788/4885

“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