SCHEMBL862252

SCHEMBL862252

COc1ncccc1-c1c(C(=O)NS(C)(=O)=O)n(Cc2ccc(F)cc2F)c2c1=CC([C@H]1C[C@H]1C)CC=2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.38
GPR6 P46095 2/20 0.36
SCN5A Q14524 2/20 0.33
P2RX3 P56373 2/20 0.32
NAAA Q02083 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL862471 0.95 SCN9A (0.38) SCN9AGPR6SCN5AABCB11CYP2C9
SCHEMBL862502 0.90 GPR6 (0.35) GPR6P2RX3NAAA
SCHEMBL862830 0.87 ALDH1A1 (0.34) GPR6P2RX3NAAA
SCHEMBL862255 0.84 CYP2C8 (0.31)
SCHEMBL12655673 0.84 FFAR4 (0.34) GPR6NAAA
SCHEMBL862857 0.84 FFAR4 (0.34) GPR6NAAA
SCHEMBL862026 0.79 CYP2C8 (0.31)
SCHEMBL862452 0.77 SCN9A (0.42) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL13395482 0.74 SCN9A (0.36) SCN9AGPR6SCN5AP2RX3ABCB11
SCHEMBL12674113 0.73 CYP2C8 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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 (1 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 SCN9A 3807/4885GPR6 2012/4885SCN5A 1398/4885

“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.