SCHEMBL244486

SCHEMBL244486

CNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)oc2ccc(OC(C)C)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
CYP2C8 P10632 2/20 0.41
HIPK4 Q8NE63 2/20 0.39
DDR2 Q16832 1/20 0.39
ANO1 Q5XXA6 2/20 0.37
SCN4A P35499 1/20 0.36
CYP3A4 P08684 1/20 0.36
BRAF P15056 1/20 0.35
HDAC1 Q13547 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
SCHEMBL244566 0.86 KCNH2 (0.39) KCNH2CYP2C8ANO1
SCHEMBL253936 0.84 KCNH2 (0.47) KCNH2CYP2C8HIPK4DDR2
SCHEMBL9947767 0.82 KCNH2 (0.41) KCNH2CYP2C8HIPK4DDR2ANO1
SCHEMBL2843961 0.80 ANO1 (0.51) KCNH2CYP2C8ANO1CYP3A4
SCHEMBL14217295 0.79 KCNH2 (0.43) KCNH2CYP2C8CYP3A4
SCHEMBL16112945 0.78 KCNH2 (0.41) KCNH2CYP2C8CYP3A4
SCHEMBL246247 0.77 DDR2 (0.39) KCNH2CYP2C8HIPK4DDR2ANO1
SCHEMBL1918982 0.77 KCNH2 (0.52) KCNH2CYP2C8
SCHEMBL1918302 0.76 KCNH2 (0.44) KCNH2CYP2C8ANO1CYP3A4
SCHEMBL18038578 0.75 CYP3A4 (0.42) KCNH2CYP2C8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588464-B1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITS C BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
US-8445497-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
EP-2588464-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITS C Bristol-Myers Squibb Company (US) 2013-05-08 EP disclosed
US-20120165344-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-06-28 US disclosed
WO-2012003164-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-05 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 (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-20120165344-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3814/4885CYP2C8 85/4885HIPK4 4596/4885

“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.