SCHEMBL1918302

SCHEMBL1918302

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OS(=O)(=O)C(F)(F)F)c(F)c12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
CYP2C8 P10632 6/20 0.44
CYP3A4 P08684 6/20 0.40
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ANO1 Q5XXA6 1/20 0.35

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
SCHEMBL9947767 0.95 KCNH2 (0.41) KCNH2CYP2C8CYP3A4ANO1
SCHEMBL14217295 0.88 KCNH2 (0.43) KCNH2CYP2C8CYP3A4CYP2C9CYP2C19
SCHEMBL17466579 0.84 KCNH2 (0.45) KCNH2CYP2C8CYP3A4NR1I2CYP2C9
SCHEMBL120768 0.81 ANO1 (0.50) KCNH2CYP2C8CYP3A4NR1I2CYP2C9
SCHEMBL1918707 0.81 CYP3A4 (0.44) KCNH2CYP2C8CYP3A4NR1I2CYP2C9
SCHEMBL16113986 0.80 CYP2C8 (0.39) KCNH2CYP2C8CYP3A4NR1I2CYP2C9
SCHEMBL16113994 0.80 KCNH2 (0.39) KCNH2CYP2C8CYP3A4CYP2C9CYP2C19
SCHEMBL16112800 0.80 KCNH2 (0.39) KCNH2CYP2C8CYP3A4CYP2C9CYP2C19
SCHEMBL1918380 0.79 CYP3A4 (0.41) KCNH2CYP2C8CYP3A4NR1I2CYP2C9
SCHEMBL18038649 0.78 CYP3A4 (0.42) KCNH2CYP2C8CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831066-B1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-10-05 EP disclosed
EP-2831066-B1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-10-05 EP disclosed
EP-2326633-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-12-16 EP disclosed
US-9096580-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-04 US disclosed
US-9096580-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-04 US disclosed
US-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-05-21 US disclosed
US-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-05-21 US disclosed
EP-2831066-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2015-02-04 EP disclosed
EP-2649067-B1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
EP-2649067-B1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
WO-2012078545-A1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
EP-2326633-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-01 EP disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 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 (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-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 KCNH2 3615/4885CYP2C8 56/4885CYP3A4 125/4885
US-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3814/4885CYP2C8 85/4885CYP3A4 299/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3814/4885CYP2C8 85/4885CYP3A4 299/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3814/4885CYP2C8 85/4885CYP3A4 299/4885

“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.