SCHEMBL5048729

SCHEMBL5048729

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(C)(=O)=O)cc3n2CC2(C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.46
KCNH2 Q12809 7/20 0.43
NR1I2 O75469 6/20 0.42
CYP3A4 P08684 3/20 0.42
SCN5A Q14524 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5047189 0.94 SCN9A (0.46) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL5049349 0.93 SCN9A (0.46) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL86128 0.92 SCN9A (0.56) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL84875 0.92 SCN9A (0.45) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL10082380 0.92 KCNH2 (0.52) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL848226 0.92 KCNH2 (0.52) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL5048310 0.91 SCN9A (0.44) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL5051048 0.90 KCNH2 (0.46) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL851831 0.90 NR1I2 (0.47) SCN9AKCNH2NR1I2CYP3A4SCN5A
SCHEMBL12053915 0.90 KCNH2 (0.46) SCN9AKCNH2NR1I2CYP3A4SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 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-20120115847-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 SCN9A 4595/4885KCNH2 3808/4885NR1I2 189/4885

“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.