SCHEMBL4831416

SCHEMBL4831416

CC(=O)N1CCn2c(c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc32)-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.60
SCN9A Q15858 7/20 0.52
KCNH2 Q12809 4/20 0.48
CYP3A4 P08684 3/20 0.48
SCN5A Q14524 3/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PRKCA P17252 1/20 0.42
MMP12 P39900 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
SCHEMBL14253480 0.93 NR1I2 (0.59) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL14435391 0.92 NR1I2 (0.58) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL14253463 0.89 NR1I2 (0.56) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL14253835 0.85 NR1I2 (0.55) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL12427557 0.84 PRKCA (0.51) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14253196 0.84 NR1I2 (0.62) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL14435357 0.84 SCN9A (0.54) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL14253273 0.84 NR1I2 (0.62) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL14253464 0.83 NR1I2 (0.60) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL5927398 0.82 NR1I2 (0.60) NR1I2SCN9AKCNH2CYP3A4SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885SCN9A 4635/4885KCNH2 4176/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885SCN9A 4635/4885KCNH2 4176/4885

“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.