SCHEMBL14217295

SCHEMBL14217295

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
CYP2C8 P10632 2/20 0.43
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CACNA1C Q13936 1/20 0.37

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
SCHEMBL1918302 0.88 KCNH2 (0.44) KCNH2CYP2C8CYP3A4CYP2C9CYP2C19
SCHEMBL14152266 0.84 KCNH2 (0.43) KCNH2CYP2C8CYP3A4CYP2C9CYP2C19
SCHEMBL9947767 0.84 KCNH2 (0.41) KCNH2CYP2C8CYP3A4
SCHEMBL1918982 0.80 KCNH2 (0.52) KCNH2CYP2C8
SCHEMBL244486 0.79 KCNH2 (0.41) KCNH2CYP2C8CYP3A4
SCHEMBL10241548 0.78 CYP2C9 (0.43) KCNH2CYP3A4CYP2C9CYP2C19CACNA1C
SCHEMBL253936 0.76 KCNH2 (0.47) KCNH2CYP2C8
SCHEMBL19193977 0.76 KCNH2 (0.43) KCNH2CYP2C8CYP3A4
SCHEMBL19197887 0.75 KCNH2 (0.50) KCNH2CYP2C8CYP3A4
SCHEMBL244566 0.75 KCNH2 (0.39) KCNH2CYP2C8

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
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-8507683-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-20120309770-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309770-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 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 (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-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 KCNH2 3615/4885CYP2C8 56/4885CYP3A4 125/4885
US-20120309770-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.