SCHEMBL20929065

SCHEMBL20929065

COC(=O)c1cc2c(cc1F)c(-c1ccc(C)cc1)cn2C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.55
SCN5A Q14524 7/20 0.55
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR4A2 P43354 8/20 0.48
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19475794 0.87 SCN9A (0.73) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL19475725 0.87 SCN9A (0.73) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL20929105 0.86 SCN9A (0.56) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL19510205 0.83 SCN9A (0.78) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL19510532 0.80 NR4A2 (0.47) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL19475914 0.79 SCN9A (0.78) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL19510194 0.77 NR4A2 (0.46) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL19475911 0.73 SCN9A (0.74) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL19475855 0.73 SCN9A (0.74) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL147558 0.72 IDO1 (0.58) SCN9ASCN5AIDO1TDO2

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-10550080-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-04 US disclosed
US-20190119209-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 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 (2 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-10550080-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A SCN9A 10/4885SCN5A 7/4885CYP3A4 2035/4885
US-20190119209-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS SCN7A, SCN1A, SCN8A SCN9A 10/4885SCN5A 7/4885CYP3A4 2035/4885

“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.