SCHEMBL55272

SCHEMBL55272

CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)O)CC1c1cc(OC)ccc1-3

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.71
CYP3A4 P08684 3/20 0.69
SCN5A Q14524 2/20 0.69
NR1I2 O75469 9/20 0.68
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
SCN9A Q15858 4/20 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
SCHEMBL699949 0.95 KCNH2 (0.69) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL55271 0.94 KCNH2 (0.71) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL825341 0.93 KCNH2 (0.82) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL55256 0.93 KCNH2 (0.70) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL50386 0.92 NR1I2 (0.71) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL55276 0.92 KCNH2 (0.71) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL51063 0.91 KCNH2 (0.79) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL50619 0.91 KCNH2 (0.69) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL14438778 0.91 KCNH2 (0.68) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL14393137 0.91 KCNH2 (0.68) KCNH2CYP3A4SCN5ANR1I2CYP2C9

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2118108-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-11-14 EP disclosed
EP-2518073-A1 Compounds for the treatment of Hepatitis C Bristol-Myers Squibb Company (US) 2012-10-31 EP disclosed
EP-2209784-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-8129367-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129367-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8124601-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-8124601-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
US-20080226590-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226590-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226591-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226591-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
WO-2008112841-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2008112848-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (4 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-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 KCNH2 934/4885CYP3A4 41/4885SCN5A 55/4885
US-20080226590-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885CYP3A4 214/4885SCN5A 4311/4885
US-20120115847-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885CYP3A4 214/4885SCN5A 4311/4885
US-20080226591-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885CYP3A4 214/4885SCN5A 4311/4885

“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.