SCHEMBL4829893

SCHEMBL4829893

CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)C1CNCCO1)Cc1ccccc1-3

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 10/20 0.53
KCNH2 Q12809 4/20 0.46
CYP3A4 P08684 3/20 0.43
SCN5A Q14524 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
SCN9A Q15858 5/20 0.40

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
SCHEMBL5337210 0.87 PRKCA (0.41) NR1I2KCNH2PRKCAMMP12SCN9A
SCHEMBL4825577 0.86 PRKCA (0.48) NR1I2KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL13941188 0.86 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13936849 0.83 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4829897 0.83 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14253208 0.83 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4823167 0.82 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940449 0.82 NR1I2 (0.53) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13936837 0.82 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940888 0.82 NR1I2 (0.64) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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 6 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
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 1013/4885KCNH2 4176/4885CYP3A4 500/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885KCNH2 4176/4885CYP3A4 500/4885

“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.